(7S)-6-methyloct-3-ene-1,7-diol

C9H18O2 — CID 90781345

IUPAC(7S)-6-methyloct-3-ene-1,7-diol
SMILESCC(CC=CCCO)[C@H](C)O
InChIInChI=1S/C9H18O2/c1-8(9(2)11)6-4-3-5-7-10/h3-4,8-11H,5-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyPJDUFQFQACMDJT-GKAPJAKFSA-N
MW158.24 g/mol
LogP1.33
Rot. Bonds5

About (7S)-6-methyloct-3-ene-1,7-diol

(7S)-6-methyloct-3-ene-1,7-diol (PubChem CID 90781345) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (7S)-6-methyloct-3-ene-1,7-diol.

Molecular Properties

Compound Name(7S)-6-methyloct-3-ene-1,7-diol
PubChem CID90781345
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(7S)-6-methyloct-3-ene-1,7-diol
SMILESCC(CC=CCCO)[C@H](C)O
InChIInChI=1S/C9H18O2/c1-8(9(2)11)6-4-3-5-7-10/h3-4,8-11H,5-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyPJDUFQFQACMDJT-GKAPJAKFSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.33
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

(E,2S,3R)-3-methylnon-5-en-2-ol
CID 122413916
3-methylnon-5-en-2-ol
CID 91526423
(E)-6-methyloct-3-ene-1,1,7-triol
CID 88993086
3-methylundec-5-en-2-ol
CID 91383735
(E)-3,7-dimethyloct-5-en-2-ol
CID 138394974
butane-1,4-diol;butane-2,3-diol;(E)-but-1-ene-1,4-diol
CID 89438712
(E)-6,6-dimethoxyhex-3-en-1-ol
CID 163205453
(E)-oct-5-ene-1,2,8-triol
CID 20554578
methane;(E,2S,3R)-3-methylhept-5-en-2-ol;(2S,3R)-3-methylundecan-2-ol;(E,2S,3R)-3-methylundec-5-en-2-ol
CID 161173230
(Z)-8-methylnon-3-en-1-ol
CID 88790350
tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate
CID 91301754
(3E,6S,8E)-undeca-3,8,10-triene-1,6-diol
CID 156581779

Frequently Asked Questions

What is the IUPAC name of (7S)-6-methyloct-3-ene-1,7-diol?
The IUPAC name of (7S)-6-methyloct-3-ene-1,7-diol (CID 90781345) is (7S)-6-methyloct-3-ene-1,7-diol.
What is the SMILES notation for (7S)-6-methyloct-3-ene-1,7-diol?
The canonical SMILES for (7S)-6-methyloct-3-ene-1,7-diol is CC(CC=CCCO)[C@H](C)O.
What is the InChIKey of (7S)-6-methyloct-3-ene-1,7-diol?
The InChIKey is PJDUFQFQACMDJT-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(9(2)11)6-4-3-5-7-10/h3-4,8-11H,5-7H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of (7S)-6-methyloct-3-ene-1,7-diol?
(7S)-6-methyloct-3-ene-1,7-diol has a molecular weight of 158.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-6-methyloct-3-ene-1,7-diol is sourced from PubChem (CID 90781345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).