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

C7H14O — CID 7020357

IUPAC(3S)-2-methylhex-5-en-3-ol
SMILESC=CC[C@H](O)C(C)C
InChIInChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h4,6-8H,1,5H2,2-3H3/t7-/m0/s1
InChIKeyJKGMJZOZIJHPOH-ZETCQYMHSA-N
MW114.19 g/mol
LogP1.58
Rot. Bonds3

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

(3S)-2-methylhex-5-en-3-ol (PubChem CID 7020357) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (3S)-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(3S)-2-methylhex-5-en-3-ol
PubChem CID7020357
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(3S)-2-methylhex-5-en-3-ol
SMILESC=CC[C@H](O)C(C)C
InChIInChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h4,6-8H,1,5H2,2-3H3/t7-/m0/s1
InChIKeyJKGMJZOZIJHPOH-ZETCQYMHSA-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

Hepta-1,6-dien-4-ol
CID 17902
4-Methyl-1-penten-3-ol
CID 20929
4-Penten-2-OL
CID 12247
(2R)-pent-4-en-2-ol
CID 6999724
(S)-(+)-4-Penten-2-ol
CID 6994332
Hex-5-en-3-ol
CID 136489
2-Methyl-5-hexen-3-ol
CID 141746
5-Methyl-1-hexen-3-ol
CID 5314815
2,2-Dimethyl-5-hexen-3-ol
CID 140556
5-Methyl-1-hepten-4-ol
CID 145341
3-Methyl-4-penten-2-ol
CID 544701
4-Methyl-5-hexen-3-ol
CID 12496406

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methylhex-5-en-3-ol?
The IUPAC name of (3S)-2-methylhex-5-en-3-ol (CID 7020357) is (3S)-2-methylhex-5-en-3-ol.
What is the SMILES notation for (3S)-2-methylhex-5-en-3-ol?
The canonical SMILES for (3S)-2-methylhex-5-en-3-ol is C=CC[C@H](O)C(C)C.
What is the InChIKey of (3S)-2-methylhex-5-en-3-ol?
The InChIKey is JKGMJZOZIJHPOH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h4,6-8H,1,5H2,2-3H3/t7-/m0/s1.
What are the key properties of (3S)-2-methylhex-5-en-3-ol?
(3S)-2-methylhex-5-en-3-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)-2-methylhex-5-en-3-ol is sourced from PubChem (CID 7020357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).