(3S)-3-methylhex-5-en-2-ol

C7H14O — CID 130131191

IUPAC(3S)-3-methylhex-5-en-2-ol
SMILESC=CC[C@H](C)C(C)O
InChIInChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h4,6-8H,1,5H2,2-3H3/t6-,7?/m0/s1
InChIKeyKSXVDBSINBXKGA-PKPIPKONSA-N
MW114.19 g/mol
LogP1.58
Rot. Bonds3

About (3S)-3-methylhex-5-en-2-ol

(3S)-3-methylhex-5-en-2-ol (PubChem CID 130131191) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (3S)-3-methylhex-5-en-2-ol.

Molecular Properties

Compound Name(3S)-3-methylhex-5-en-2-ol
PubChem CID130131191
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(3S)-3-methylhex-5-en-2-ol
SMILESC=CC[C@H](C)C(C)O
InChIInChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h4,6-8H,1,5H2,2-3H3/t6-,7?/m0/s1
InChIKeyKSXVDBSINBXKGA-PKPIPKONSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-1-penten-3-ol
CID 20929
5-Hexen-2-ol
CID 41170
2-Methyl-4-penten-1-ol
CID 534258
(2R)-hex-5-en-2-ol
CID 11848709
6-Hepten-3-ol
CID 140608
2-Methyl-5-hexen-3-ol
CID 141746
3-Methyl-4-penten-1-ol
CID 123525
5-Methyl-1-hexen-3-ol
CID 5314815
(2S)-hex-5-en-2-ol
CID 11848710
5-Methyl-1-hepten-4-ol
CID 145341
3-Methyl-4-penten-2-ol
CID 544701
2(s)-Methylpent-4-enol
CID 11115994

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylhex-5-en-2-ol?
The IUPAC name of (3S)-3-methylhex-5-en-2-ol (CID 130131191) is (3S)-3-methylhex-5-en-2-ol.
What is the SMILES notation for (3S)-3-methylhex-5-en-2-ol?
The canonical SMILES for (3S)-3-methylhex-5-en-2-ol is C=CC[C@H](C)C(C)O.
What is the InChIKey of (3S)-3-methylhex-5-en-2-ol?
The InChIKey is KSXVDBSINBXKGA-PKPIPKONSA-N. The full InChI is InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h4,6-8H,1,5H2,2-3H3/t6-,7?/m0/s1.
What are the key properties of (3S)-3-methylhex-5-en-2-ol?
(3S)-3-methylhex-5-en-2-ol has a molecular weight of 114.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylhex-5-en-2-ol is sourced from PubChem (CID 130131191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).