octa-1,7-dien-3-ol

C8H14O — CID 545738

IUPACocta-1,7-dien-3-ol
SMILESC=CCCCC(O)C=C
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3-4,8-9H,1-2,5-7H2
InChIKeyPCELKVAQHUEQKH-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds5

About octa-1,7-dien-3-ol

octa-1,7-dien-3-ol (PubChem CID 545738) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is octa-1,7-dien-3-ol.

Molecular Properties

Compound Nameocta-1,7-dien-3-ol
PubChem CID545738
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Nameocta-1,7-dien-3-ol
SMILESC=CCCCC(O)C=C
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3-4,8-9H,1-2,5-7H2
InChIKeyPCELKVAQHUEQKH-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Octen-3-Ol
CID 18827
1-Hexen-3-Ol
CID 20928
1-Nonen-3-ol
CID 89560
2-Octen-4-ol, (2E)-
CID 5366203
1-Hepten-3-OL
CID 21057
2-Cyclohexen-1-OL
CID 13198
1-Decen-3-ol
CID 170977
(R)-oct-1-en-3-ol
CID 6992244
1-Undecen-3-ol
CID 3015762
(S)-1-Octen-3-ol
CID 2724898
(1S)-2-Cyclohexen-1-ol
CID 5325854
(3R)-1-hexen-3-ol
CID 6992421

Frequently Asked Questions

What is the IUPAC name of octa-1,7-dien-3-ol?
The IUPAC name of octa-1,7-dien-3-ol (CID 545738) is octa-1,7-dien-3-ol.
What is the SMILES notation for octa-1,7-dien-3-ol?
The canonical SMILES for octa-1,7-dien-3-ol is C=CCCCC(O)C=C.
What is the InChIKey of octa-1,7-dien-3-ol?
The InChIKey is PCELKVAQHUEQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3-4,8-9H,1-2,5-7H2.
What are the key properties of octa-1,7-dien-3-ol?
octa-1,7-dien-3-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,7-dien-3-ol is sourced from PubChem (CID 545738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).