3-ethenylocta-1,4,6-triene-1,8-diol

C10H14O2 — CID 173309015

IUPAC3-ethenylocta-1,4,6-triene-1,8-diol
SMILESC=CC(C=CO)C=CC=CCO
InChIInChI=1S/C10H14O2/c1-2-10(7-9-12)6-4-3-5-8-11/h2-7,9-12H,1,8H2
InChIKeyQVPKFYZHRXJOBS-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.97
Rot. Bonds5

About 3-ethenylocta-1,4,6-triene-1,8-diol

3-ethenylocta-1,4,6-triene-1,8-diol (PubChem CID 173309015) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-ethenylocta-1,4,6-triene-1,8-diol.

Molecular Properties

Compound Name3-ethenylocta-1,4,6-triene-1,8-diol
PubChem CID173309015
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-ethenylocta-1,4,6-triene-1,8-diol
SMILESC=CC(C=CO)C=CC=CCO
InChIInChI=1S/C10H14O2/c1-2-10(7-9-12)6-4-3-5-8-11/h2-7,9-12H,1,8H2
InChIKeyQVPKFYZHRXJOBS-UHFFFAOYSA-N
XLogP1.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-hexa-2,4-diene-1,6-diol
CID 6440316
(2E)-6,6-dimethylhepta-2,4-dien-1-ol
CID 154163380
(3S,4E,6Z)-3-chloro-8-fluoroocta-1,4,6-triene
CID 139541907
(2E)-4-phenylhexa-2,5-dien-1-ol
CID 15767643
(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol
CID 10846135
methyl 9-hydroxy-2-methylnona-3,5,7-trienoate
CID 141310266
(2E,4E)-7-aminohepta-2,4-dien-1-ol
CID 102305339
4-methylpent-2-ene-1,5-diol
CID 78100137
nona-2,4-diene-1,7-diol
CID 54560348
CID 101008835
CID 101008835
(E,2R,3S)-hex-4-ene-1,2,3,6-tetrol
CID 131240966
methyl 5,10-dihydroxydeca-6,8-dienoate
CID 86109442

Frequently Asked Questions

What is the IUPAC name of 3-ethenylocta-1,4,6-triene-1,8-diol?
The IUPAC name of 3-ethenylocta-1,4,6-triene-1,8-diol (CID 173309015) is 3-ethenylocta-1,4,6-triene-1,8-diol.
What is the SMILES notation for 3-ethenylocta-1,4,6-triene-1,8-diol?
The canonical SMILES for 3-ethenylocta-1,4,6-triene-1,8-diol is C=CC(C=CO)C=CC=CCO.
What is the InChIKey of 3-ethenylocta-1,4,6-triene-1,8-diol?
The InChIKey is QVPKFYZHRXJOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-10(7-9-12)6-4-3-5-8-11/h2-7,9-12H,1,8H2.
What are the key properties of 3-ethenylocta-1,4,6-triene-1,8-diol?
3-ethenylocta-1,4,6-triene-1,8-diol has a molecular weight of 166.22 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylocta-1,4,6-triene-1,8-diol is sourced from PubChem (CID 173309015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).