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Structure

[2,2-Bis-(hexyloxy)ethyl]benzene

CAS
93981-54-5
Catalog Number
ACM93981545
Category
Other Products
Molecular Weight
306.482760 [g/mol]
Molecular Formula
C20H34O2

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Specification

Synonyms
EINECS 301-140-8, (2,2-Bis(hexyloxy)ethyl)benzene, CID3023164, 93981-54-5
IUPAC Name
2,2-dihexoxyethylbenzene
Canonical SMILES
CCCCCCOC(CC1=CC=CC=C1)OCCCCCC
InChI Key
LAWXVKVDOJTUAD-UHFFFAOYSA-N
Boiling Point
373.9ºC at 760mmHg
Flash Point
115.2ºC
Density
0.919g/cm³
EC Number
301-140-8
Exact Mass
306.25600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of [2,2-Bis-(hexyloxy)ethyl]benzene?

The molecular formula of [2,2-Bis-(hexyloxy)ethyl]benzene is C20H34O2.

When was [2,2-Bis-(hexyloxy)ethyl]benzene created on PubChem?

[2,2-Bis-(hexyloxy)ethyl]benzene was created on PubChem on 2005-08-08.

What is the IUPAC name of [2,2-Bis-(hexyloxy)ethyl]benzene?

The IUPAC name of [2,2-Bis-(hexyloxy)ethyl]benzene is 2,2-dihexoxyethylbenzene.

What is the InChI of [2,2-Bis-(hexyloxy)ethyl]benzene?

The InChI of [2,2-Bis-(hexyloxy)ethyl]benzene is InChI=1S/C20H34O2/c1-3-5-7-12-16-21-20(22-17-13-8-6-4-2)18-19-14-10-9-11-15-19/h9-11,14-15,20H,3-8,12-13,16-18H2,1-2H3.

What is the Canonical SMILES of [2,2-Bis-(hexyloxy)ethyl]benzene?

The Canonical SMILES of [2,2-Bis-(hexyloxy)ethyl]benzene is CCCCCCOC(CC1=CC=CC=C1)OCCCCCC.

What is the molecular weight of [2,2-Bis-(hexyloxy)ethyl]benzene?

The molecular weight of [2,2-Bis-(hexyloxy)ethyl]benzene is 306.5 g/mol.

How many hydrogen bond acceptor counts does [2,2-Bis-(hexyloxy)ethyl]benzene have?

[2,2-Bis-(hexyloxy)ethyl]benzene has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of [2,2-Bis-(hexyloxy)ethyl]benzene?

The topological polar surface area of [2,2-Bis-(hexyloxy)ethyl]benzene is 18.5 Å2.

How many rotatable bond counts does [2,2-Bis-(hexyloxy)ethyl]benzene have?

[2,2-Bis-(hexyloxy)ethyl]benzene has 14 rotatable bond counts.

Is the compound canonicalized in PubChem?

Yes, the compound [2,2-Bis-(hexyloxy)ethyl]benzene is canonicalized in PubChem.

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