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Structure

3,7-Dimethyloct-6-en-1-yl phenethyl carbonate

CAS
94291-60-8
Catalog Number
ACM94291608
Category
Other Products
Molecular Weight
304.423820 [g/mol]
Molecular Formula
C19H28O3

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Specification

Synonyms
EINECS 304-885-7, CID3024277, 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate, 94291-60-8
IUPAC Name
3,7-dimethyloct-6-enyl phenethyl carbonate
Canonical SMILES
CC(CCC=C(C)C)CCOC(=O)OCCC1=CC=CC=C1
InChI Key
SIUXHHHLKJUSAT-UHFFFAOYSA-N
EC Number
304-885-7
Exact Mass
304.20400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate?

The molecular formula of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate is C19H28O3.

What is the molecular weight of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate?

The molecular weight of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate is 304.4 g/mol.

When was 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate created on PubChem?

3,7-Dimethyloct-6-en-1-yl phenethyl carbonate was created on August 8, 2005, on PubChem.

What is the InChIKey of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate?

The InChIKey of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate is SIUXHHHLKJUSAT-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate have?

3,7-Dimethyloct-6-en-1-yl phenethyl carbonate has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate?

The topological polar surface area of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate is 35.5 Ų.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized according to PubChem.

How many rotatable bond counts does 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate have?

3,7-Dimethyloct-6-en-1-yl phenethyl carbonate has 11 rotatable bond counts.

What is the XLogP3-AA value of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate?

The XLogP3-AA value of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate is 6.1.

What is the complexity value of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate?

The complexity value of 3,7-Dimethyloct-6-en-1-yl phenethyl carbonate is 326.

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