(4S)-4-methylhex-5-en-1-ol

C7H14O — CID 13119644

IUPAC(4S)-4-methylhex-5-en-1-ol
SMILESC=C[C@@H](C)CCCO
InChIInChI=1S/C7H14O/c1-3-7(2)5-4-6-8/h3,7-8H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyHMLZYBJGMIEFLP-SSDOTTSWSA-N
MW114.19 g/mol
LogP1.58
Rot. Bonds4

About (4S)-4-methylhex-5-en-1-ol

(4S)-4-methylhex-5-en-1-ol (PubChem CID 13119644) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (4S)-4-methylhex-5-en-1-ol.

Molecular Properties

Compound Name(4S)-4-methylhex-5-en-1-ol
PubChem CID13119644
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(4S)-4-methylhex-5-en-1-ol
SMILESC=C[C@@H](C)CCCO
InChIInChI=1S/C7H14O/c1-3-7(2)5-4-6-8/h3,7-8H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyHMLZYBJGMIEFLP-SSDOTTSWSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methylhex-5-en-1-ol?
The IUPAC name of (4S)-4-methylhex-5-en-1-ol (CID 13119644) is (4S)-4-methylhex-5-en-1-ol.
What is the SMILES notation for (4S)-4-methylhex-5-en-1-ol?
The canonical SMILES for (4S)-4-methylhex-5-en-1-ol is C=C[C@@H](C)CCCO.
What is the InChIKey of (4S)-4-methylhex-5-en-1-ol?
The InChIKey is HMLZYBJGMIEFLP-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14O/c1-3-7(2)5-4-6-8/h3,7-8H,1,4-6H2,2H3/t7-/m1/s1.
What are the key properties of (4S)-4-methylhex-5-en-1-ol?
(4S)-4-methylhex-5-en-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methylhex-5-en-1-ol is sourced from PubChem (CID 13119644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).