(6S)-oct-7-ene-1,6-diol

C8H16O2 — CID 162900025

IUPAC(6S)-oct-7-ene-1,6-diol
SMILESC=C[C@@H](O)CCCCCO
InChIInChI=1S/C8H16O2/c1-2-8(10)6-4-3-5-7-9/h2,8-10H,1,3-7H2/t8-/m1/s1
InChIKeyXEXSBXKKNKXLTA-MRVPVSSYSA-N
MW144.21 g/mol
LogP1.09
Rot. Bonds6

About (6S)-oct-7-ene-1,6-diol

(6S)-oct-7-ene-1,6-diol (PubChem CID 162900025) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (6S)-oct-7-ene-1,6-diol.

Molecular Properties

Compound Name(6S)-oct-7-ene-1,6-diol
PubChem CID162900025
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(6S)-oct-7-ene-1,6-diol
SMILESC=C[C@@H](O)CCCCCO
InChIInChI=1S/C8H16O2/c1-2-8(10)6-4-3-5-7-9/h2,8-10H,1,3-7H2/t8-/m1/s1
InChIKeyXEXSBXKKNKXLTA-MRVPVSSYSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-oct-7-ene-1,6-diol?
The IUPAC name of (6S)-oct-7-ene-1,6-diol (CID 162900025) is (6S)-oct-7-ene-1,6-diol.
What is the SMILES notation for (6S)-oct-7-ene-1,6-diol?
The canonical SMILES for (6S)-oct-7-ene-1,6-diol is C=C[C@@H](O)CCCCCO.
What is the InChIKey of (6S)-oct-7-ene-1,6-diol?
The InChIKey is XEXSBXKKNKXLTA-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-8(10)6-4-3-5-7-9/h2,8-10H,1,3-7H2/t8-/m1/s1.
What are the key properties of (6S)-oct-7-ene-1,6-diol?
(6S)-oct-7-ene-1,6-diol has a molecular weight of 144.21 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-oct-7-ene-1,6-diol is sourced from PubChem (CID 162900025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).