(1E)-octa-1,3-dien-1-ol

C8H14O — CID 154003406

IUPAC(1E)-octa-1,3-dien-1-ol
SMILESCCCCC=C/C=C/O
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h5-9H,2-4H2,1H3/b6-5?,8-7+
InChIKeyHZYABSBSRWFZEG-GCSGCOTJSA-N
MW126.20 g/mol
LogP2.80
Rot. Bonds4

About (1E)-octa-1,3-dien-1-ol

(1E)-octa-1,3-dien-1-ol (PubChem CID 154003406) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1E)-octa-1,3-dien-1-ol.

Molecular Properties

Compound Name(1E)-octa-1,3-dien-1-ol
PubChem CID154003406
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1E)-octa-1,3-dien-1-ol
SMILESCCCCC=C/C=C/O
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h5-9H,2-4H2,1H3/b6-5?,8-7+
InChIKeyHZYABSBSRWFZEG-GCSGCOTJSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetradeca-1,3-dien-1-ol
CID 73437176
(1Z,3Z)-undeca-1,3-dien-1-ol
CID 86738537
(1E)-octadeca-1,3,5-trien-1-ol
CID 175012248
(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 173206740
(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol
CID 18352229
(1E,3E,5Z)-octadeca-1,3,5-trien-1-ol
CID 90419850
(1E,3E,5E,7Z,9Z,11E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 87558928
dioxane;octa-1,3-dien-1-ol
CID 173366505
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645

Frequently Asked Questions

What is the IUPAC name of (1E)-octa-1,3-dien-1-ol?
The IUPAC name of (1E)-octa-1,3-dien-1-ol (CID 154003406) is (1E)-octa-1,3-dien-1-ol.
What is the SMILES notation for (1E)-octa-1,3-dien-1-ol?
The canonical SMILES for (1E)-octa-1,3-dien-1-ol is CCCCC=C/C=C/O.
What is the InChIKey of (1E)-octa-1,3-dien-1-ol?
The InChIKey is HZYABSBSRWFZEG-GCSGCOTJSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h5-9H,2-4H2,1H3/b6-5?,8-7+.
What are the key properties of (1E)-octa-1,3-dien-1-ol?
(1E)-octa-1,3-dien-1-ol has a molecular weight of 126.20 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-octa-1,3-dien-1-ol is sourced from PubChem (CID 154003406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).