(4S)-4-methylhept-6-ene-1,4-diol

C8H16O2 — CID 10464446

IUPAC(4S)-4-methylhept-6-ene-1,4-diol
SMILESC=CC[C@@](C)(O)CCCO
InChIInChI=1S/C8H16O2/c1-3-5-8(2,10)6-4-7-9/h3,9-10H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyGDTDNYDIBQNEMM-MRVPVSSYSA-N
MW144.21 g/mol
LogP1.09
Rot. Bonds5

About (4S)-4-methylhept-6-ene-1,4-diol

(4S)-4-methylhept-6-ene-1,4-diol (PubChem CID 10464446) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (4S)-4-methylhept-6-ene-1,4-diol.

Molecular Properties

Compound Name(4S)-4-methylhept-6-ene-1,4-diol
PubChem CID10464446
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(4S)-4-methylhept-6-ene-1,4-diol
SMILESC=CC[C@@](C)(O)CCCO
InChIInChI=1S/C8H16O2/c1-3-5-8(2,10)6-4-7-9/h3,9-10H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyGDTDNYDIBQNEMM-MRVPVSSYSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
4-methylnon-1-en-8-yn-4-ol
CID 102177580
2-methyl-1-methylsulfanylpent-4-en-2-ol
CID 13218065
1-amino-2-methylpent-4-en-2-ol;hydrochloride
CID 134542347
2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
CID 23007820
2-fluoro-2-prop-2-enylpentane-1,5-diol
CID 146607254
8,11-dimethyldodecane-1,8,11-triol
CID 90439782
8,10-dimethylundecane-1,8,10-triol
CID 90439764
4,7-dimethylocta-1,6-dien-4-ol
CID 537672
(E)-5,5,9-trimethyldec-7-ene-1,9-diol
CID 21261663
4,4-dimethylpentan-1-ol;3-methylbut-1-ene
CID 157179674
4,4-dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methylhept-6-ene-1,4-diol?
The IUPAC name of (4S)-4-methylhept-6-ene-1,4-diol (CID 10464446) is (4S)-4-methylhept-6-ene-1,4-diol.
What is the SMILES notation for (4S)-4-methylhept-6-ene-1,4-diol?
The canonical SMILES for (4S)-4-methylhept-6-ene-1,4-diol is C=CC[C@@](C)(O)CCCO.
What is the InChIKey of (4S)-4-methylhept-6-ene-1,4-diol?
The InChIKey is GDTDNYDIBQNEMM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-8(2,10)6-4-7-9/h3,9-10H,1,4-7H2,2H3/t8-/m1/s1.
What are the key properties of (4S)-4-methylhept-6-ene-1,4-diol?
(4S)-4-methylhept-6-ene-1,4-diol has a molecular weight of 144.21 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methylhept-6-ene-1,4-diol is sourced from PubChem (CID 10464446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).