octa-4,5-dien-1-ol

C8H14O — CID 14002940

IUPACocta-4,5-dien-1-ol
SMILESCCC=C=CCCCO
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3,5,9H,2,6-8H2,1H3
InChIKeyJORJUYFQSPWXPG-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.88
Rot. Bonds4

About octa-4,5-dien-1-ol

octa-4,5-dien-1-ol (PubChem CID 14002940) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is octa-4,5-dien-1-ol.

Molecular Properties

Compound Nameocta-4,5-dien-1-ol
PubChem CID14002940
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Nameocta-4,5-dien-1-ol
SMILESCCC=C=CCCCO
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3,5,9H,2,6-8H2,1H3
InChIKeyJORJUYFQSPWXPG-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodeca-3,4-diene
CID 91492112
octa-4,5-dien-1-amine
CID 55284757
6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol
CID 175565184
octadeca-3,4,11,15-tetraene
CID 174642630
octadeca-2,3-dien-1-ol
CID 138969077
methyl tetradeca-10,11-dienoate
CID 91694384
(Z)-hept-4-en-1-ol
CID 5367536
pentacosa-12,13-diene
CID 174365678
nona-5,6-dien-1-yne
CID 123395060
octadeca-5,6-diene
CID 141110817
(4E,6Z)-nona-4,6-dien-1-ol
CID 11286515
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921

Frequently Asked Questions

What is the IUPAC name of octa-4,5-dien-1-ol?
The IUPAC name of octa-4,5-dien-1-ol (CID 14002940) is octa-4,5-dien-1-ol.
What is the SMILES notation for octa-4,5-dien-1-ol?
The canonical SMILES for octa-4,5-dien-1-ol is CCC=C=CCCCO.
What is the InChIKey of octa-4,5-dien-1-ol?
The InChIKey is JORJUYFQSPWXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3,5,9H,2,6-8H2,1H3.
What are the key properties of octa-4,5-dien-1-ol?
octa-4,5-dien-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-4,5-dien-1-ol is sourced from PubChem (CID 14002940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).