CAS
99324-98-8 Purity
96%
99324-98-8 Purity
96%
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1-Hepten-4-ol,5-methyl-,(4R,5S)-
CAS
99328-46-8
Catalog Number
ACM99328468
Category
Other Products
Molecular Weight
128.212
Molecular Formula
C8H16O
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Specification
Synonyms
5-METHYL-1-HEPTEN-4-OL
IUPAC Name
5-methylhept-1-en-4-ol
Canonical SMILES
CCC(C)C(CC=C)O
InChI Key
MQPXBYVFQKTJJZ-UHFFFAOYSA-N
Boiling Point
172.7ºC at 760mmHg
Flash Point
64.2ºC
Density
0.832g/cm³
EC Number
619-424-8
Exact Mass
128.12000
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of 1-Hepten-4-ol, 5-methyl-,(4R,5S) according to the reference?
The molecular formula is C8H16O.
What is the molecular weight of 1-Hepten-4-ol, 5-methyl-,(4R,5S) according to the reference?
The molecular weight is 128.21 g/mol.
When was 1-Hepten-4-ol, 5-methyl-,(4R,5S) first created according to the reference?
It was first created on March 27, 2005.
What is the IUPAC name of 1-Hepten-4-ol, 5-methyl-,(4R,5S) according to the reference?
The IUPAC name is 5-methylhept-1-en-4-ol.
What is the InChI key of 1-Hepten-4-ol, 5-methyl-,(4R,5S) according to the reference?
The InChI key is MQPXBYVFQKTJJZ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1-Hepten-4-ol, 5-methyl-,(4R,5S) have according to the reference?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 1-Hepten-4-ol, 5-methyl-,(4R,5S) according to the reference?
The topological polar surface area is 20.2².
Is the compound canonicalized according to the reference?
Yes, the compound is canonicalized.
How many rotatable bond counts does 1-Hepten-4-ol, 5-methyl-,(4R,5S) have according to the reference?
It has 4 rotatable bond counts.
What is the XLogP3-AA value of 1-Hepten-4-ol, 5-methyl-,(4R,5S) according to the reference?
The XLogP3-AA value is 2.4.
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