(3R,5E)-octa-1,5-dien-3-ol

C8H14O — CID 87509936

IUPAC(3R,5E)-octa-1,5-dien-3-ol
SMILESCC/C=C/C[C@H](C=C)O
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3/b6-5+/t8-/m0/s1
InChIKeyAPFBWMGEGSELQP-GJIOHYHPSA-N
MW126.20 g/mol
LogP2.00
Rot. Bonds4

About (3R,5E)-octa-1,5-dien-3-ol

(3R,5E)-octa-1,5-dien-3-ol (PubChem CID 87509936) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3R,5E)-octa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3R,5E)-octa-1,5-dien-3-ol
PubChem CID87509936
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3R,5E)-octa-1,5-dien-3-ol
SMILESCC/C=C/C[C@H](C=C)O
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3/b6-5+/t8-/m0/s1
InChIKeyAPFBWMGEGSELQP-GJIOHYHPSA-N
XLogP2.00
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity94

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Penten-3-Ol
CID 12020
3-Octen-2-ol
CID 42538
2,6-Dimethylocta-1,5,7-trien-3-ol
CID 5362854
Hept-3-en-1-ol
CID 74363
(3E)-3-Hepten-1-ol
CID 5318018
Hept-4-en-2-ol
CID 100886
1,5-Octadien-3-ol
CID 205986
Undeca-1,5-dien-3-ol
CID 53981988
(4Z)-4-Hepten-2-ol
CID 5352833
1,5-Hexadien-3-ol
CID 79122
(+-)-3-Penten-2-ol
CID 15289
trans-4-Hepten-2-ol
CID 5352825

Frequently Asked Questions

What is the IUPAC name of (3R,5E)-octa-1,5-dien-3-ol?
The IUPAC name of (3R,5E)-octa-1,5-dien-3-ol (CID 87509936) is (3R,5E)-octa-1,5-dien-3-ol.
What is the SMILES notation for (3R,5E)-octa-1,5-dien-3-ol?
The canonical SMILES for (3R,5E)-octa-1,5-dien-3-ol is CC/C=C/C[C@H](C=C)O.
What is the InChIKey of (3R,5E)-octa-1,5-dien-3-ol?
The InChIKey is APFBWMGEGSELQP-GJIOHYHPSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3/b6-5+/t8-/m0/s1.
What are the key properties of (3R,5E)-octa-1,5-dien-3-ol?
(3R,5E)-octa-1,5-dien-3-ol has a molecular weight of 126.20 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5E)-octa-1,5-dien-3-ol is sourced from PubChem (CID 87509936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).