(2E,4E)-2-methylhepta-2,4-dien-1-ol

C8H14O — CID 173250100

IUPAC(2E,4E)-2-methylhepta-2,4-dien-1-ol
SMILESCC/C=C/C=C(\C)CO
InChIInChI=1S/C8H14O/c1-3-4-5-6-8(2)7-9/h4-6,9H,3,7H2,1-2H3/b5-4+,8-6+
InChIKeyXKECKWRSDXQZGM-DVBIZMGNSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds3

About (2E,4E)-2-methylhepta-2,4-dien-1-ol

(2E,4E)-2-methylhepta-2,4-dien-1-ol (PubChem CID 173250100) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2E,4E)-2-methylhepta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-2-methylhepta-2,4-dien-1-ol
PubChem CID173250100
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2E,4E)-2-methylhepta-2,4-dien-1-ol
SMILESCC/C=C/C=C(\C)CO
InChIInChI=1S/C8H14O/c1-3-4-5-6-8(2)7-9/h4-6,9H,3,7H2,1-2H3/b5-4+,8-6+
InChIKeyXKECKWRSDXQZGM-DVBIZMGNSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

(2E,4Z)-2-methylhepta-2,4-diene-1-thiol
CID 145391343
(2E,4E)-2-methyldodeca-2,4-dien-1-ol
CID 16737921
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
(2E,4Z,6Z)-2-methylocta-2,4,6-trien-1-ol
CID 89381330
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
CID 89431682
(5E)-octa-3,5-diene
CID 173104147
(2E,4Z)-N-ethylhepta-2,4-dien-2-amine
CID 166776251
(4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid
CID 163683229
(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
4-methylnona-4,6-dien-3-ol
CID 90740001
[(2Z,4Z)-hepta-2,4-dien-2-yl]-methoxyazanium
CID 142322439
(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol
CID 163982381

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-methylhepta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-2-methylhepta-2,4-dien-1-ol (CID 173250100) is (2E,4E)-2-methylhepta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-2-methylhepta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-2-methylhepta-2,4-dien-1-ol is CC/C=C/C=C(\C)CO.
What is the InChIKey of (2E,4E)-2-methylhepta-2,4-dien-1-ol?
The InChIKey is XKECKWRSDXQZGM-DVBIZMGNSA-N. The full InChI is InChI=1S/C8H14O/c1-3-4-5-6-8(2)7-9/h4-6,9H,3,7H2,1-2H3/b5-4+,8-6+.
What are the key properties of (2E,4E)-2-methylhepta-2,4-dien-1-ol?
(2E,4E)-2-methylhepta-2,4-dien-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-methylhepta-2,4-dien-1-ol is sourced from PubChem (CID 173250100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).