(5E)-octa-5,7-dien-3-ol

C8H14O — CID 12576352

IUPAC(5E)-octa-5,7-dien-3-ol
SMILESC=C/C=C/CC(O)CC
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3,5-6,8-9H,1,4,7H2,2H3/b6-5+
InChIKeyMNZVNPXBJGMTLY-AATRIKPKSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds4

About (5E)-octa-5,7-dien-3-ol

(5E)-octa-5,7-dien-3-ol (PubChem CID 12576352) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (5E)-octa-5,7-dien-3-ol.

Molecular Properties

Compound Name(5E)-octa-5,7-dien-3-ol
PubChem CID12576352
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(5E)-octa-5,7-dien-3-ol
SMILESC=C/C=C/CC(O)CC
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3,5-6,8-9H,1,4,7H2,2H3/b6-5+
InChIKeyMNZVNPXBJGMTLY-AATRIKPKSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S,6E)-2-methylnona-6,8-dien-4-ol
CID 162418483
(3E)-undeca-1,3-dien-6-ol
CID 15579179
nona-2,4-diene-1,7-diol
CID 54560348
(2R,4E)-hepta-4,6-dien-2-ol
CID 101213551
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
(3E,5E,10E)-8-hydroxytrideca-3,5,10,12-tetraen-2-one
CID 171119152
octa-5,7-dien-3-amine
CID 88768699
(3E,6S,8E)-undeca-3,8,10-triene-1,6-diol
CID 156581779
(6Z)-1-(methylamino)nona-6,8-dien-4-ol
CID 167004821
octa-1,5,7-trien-3-ol
CID 57193976
(6Z)-2-ethyl-3-hydroxy-4-methylnona-6,8-dienal
CID 59762600

Frequently Asked Questions

What is the IUPAC name of (5E)-octa-5,7-dien-3-ol?
The IUPAC name of (5E)-octa-5,7-dien-3-ol (CID 12576352) is (5E)-octa-5,7-dien-3-ol.
What is the SMILES notation for (5E)-octa-5,7-dien-3-ol?
The canonical SMILES for (5E)-octa-5,7-dien-3-ol is C=C/C=C/CC(O)CC.
What is the InChIKey of (5E)-octa-5,7-dien-3-ol?
The InChIKey is MNZVNPXBJGMTLY-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3,5-6,8-9H,1,4,7H2,2H3/b6-5+.
What are the key properties of (5E)-octa-5,7-dien-3-ol?
(5E)-octa-5,7-dien-3-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-octa-5,7-dien-3-ol is sourced from PubChem (CID 12576352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).