(3S,5S)-oct-6-ene-3,5-diol

C8H16O2 — CID 91195913

IUPAC(3S,5S)-oct-6-ene-3,5-diol
SMILESCC=C[C@@H](O)C[C@@H](O)CC
InChIInChI=1S/C8H16O2/c1-3-5-8(10)6-7(9)4-2/h3,5,7-10H,4,6H2,1-2H3/t7-,8+/m0/s1
InChIKeyCFVJOJZVNRYDDJ-JGVFFNPUSA-N
MW144.21 g/mol
LogP1.08
Rot. Bonds4

About (3S,5S)-oct-6-ene-3,5-diol

(3S,5S)-oct-6-ene-3,5-diol (PubChem CID 91195913) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3S,5S)-oct-6-ene-3,5-diol.

Molecular Properties

Compound Name(3S,5S)-oct-6-ene-3,5-diol
PubChem CID91195913
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3S,5S)-oct-6-ene-3,5-diol
SMILESCC=C[C@@H](O)C[C@@H](O)CC
InChIInChI=1S/C8H16O2/c1-3-5-8(10)6-7(9)4-2/h3,5,7-10H,4,6H2,1-2H3/t7-,8+/m0/s1
InChIKeyCFVJOJZVNRYDDJ-JGVFFNPUSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.08
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

non-2-ene-4,6-diol
CID 91115138
(E)-hex-4-en-3-ol
CID 5366234
(3R,5R)-heptane-3,5-diol
CID 12641368
(3S,5R)-1-nitrohept-1-ene-3,5-diol
CID 141417973
(E)-2-methylhept-5-ene-1,4-diol
CID 10606868
2-methylocta-1,6-diene-3,5-diol
CID 173315140
pent-3-ene-1,2-diol;hydrochloride
CID 141276135
5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol
CID 123438639
pentan-3-ol
CID 11428
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
(Z,3S,4S)-hept-5-ene-3,4-diol
CID 134854667
(Z)-undec-2-en-4-ol
CID 14320443

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-oct-6-ene-3,5-diol?
The IUPAC name of (3S,5S)-oct-6-ene-3,5-diol (CID 91195913) is (3S,5S)-oct-6-ene-3,5-diol.
What is the SMILES notation for (3S,5S)-oct-6-ene-3,5-diol?
The canonical SMILES for (3S,5S)-oct-6-ene-3,5-diol is CC=C[C@@H](O)C[C@@H](O)CC.
What is the InChIKey of (3S,5S)-oct-6-ene-3,5-diol?
The InChIKey is CFVJOJZVNRYDDJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-8(10)6-7(9)4-2/h3,5,7-10H,4,6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (3S,5S)-oct-6-ene-3,5-diol?
(3S,5S)-oct-6-ene-3,5-diol has a molecular weight of 144.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-oct-6-ene-3,5-diol is sourced from PubChem (CID 91195913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).