(4E)-5-methylhepta-4,6-dien-1-ol

C8H14O — CID 101149402

IUPAC(4E)-5-methylhepta-4,6-dien-1-ol
SMILESC=C/C(C)=C/CCCO
InChIInChI=1S/C8H14O/c1-3-8(2)6-4-5-7-9/h3,6,9H,1,4-5,7H2,2H3/b8-6+
InChIKeyFCOKDQNKFFNMCM-SOFGYWHQSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds4

About (4E)-5-methylhepta-4,6-dien-1-ol

(4E)-5-methylhepta-4,6-dien-1-ol (PubChem CID 101149402) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (4E)-5-methylhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4E)-5-methylhepta-4,6-dien-1-ol
PubChem CID101149402
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(4E)-5-methylhepta-4,6-dien-1-ol
SMILESC=C/C(C)=C/CCCO
InChIInChI=1S/C8H14O/c1-3-8(2)6-4-5-7-9/h3,6,9H,1,4-5,7H2,2H3/b8-6+
InChIKeyFCOKDQNKFFNMCM-SOFGYWHQSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-Hepten-1-ol, (4Z)-
CID 5367536
(Z)-hex-4-en-1-ol
CID 5365589
(E)-4-Hexen-1-ol
CID 641248
3,5-Octadien-1-ol, (3Z,5E)-
CID 59164020
Hex-4-en-1-ol
CID 61370
4-Octen-1-ol, (4Z)-
CID 5352836
(4E)-hept-4-en-1-ol
CID 5367535
3Z,6Z,8E-Dodecatrien-1-ol
CID 6442192
(3E,5Z)-3,5-Octadien-1-ol
CID 87170471
5,7-Dodecadien-1-ol
CID 5283274
(5E,7Z)-dodeca-5,7-dien-1-ol
CID 5365647
3Z,6E,8E-Dodecatrien-1-ol
CID 10976097

Frequently Asked Questions

What is the IUPAC name of (4E)-5-methylhepta-4,6-dien-1-ol?
The IUPAC name of (4E)-5-methylhepta-4,6-dien-1-ol (CID 101149402) is (4E)-5-methylhepta-4,6-dien-1-ol.
What is the SMILES notation for (4E)-5-methylhepta-4,6-dien-1-ol?
The canonical SMILES for (4E)-5-methylhepta-4,6-dien-1-ol is C=C/C(C)=C/CCCO.
What is the InChIKey of (4E)-5-methylhepta-4,6-dien-1-ol?
The InChIKey is FCOKDQNKFFNMCM-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8(2)6-4-5-7-9/h3,6,9H,1,4-5,7H2,2H3/b8-6+.
What are the key properties of (4E)-5-methylhepta-4,6-dien-1-ol?
(4E)-5-methylhepta-4,6-dien-1-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 (4E)-5-methylhepta-4,6-dien-1-ol is sourced from PubChem (CID 101149402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).