(2E)-3,4-dimethylpenta-2,4-dien-1-ol

C7H12O — CID 11194310

IUPAC(2E)-3,4-dimethylpenta-2,4-dien-1-ol
SMILESC=C(C)/C(C)=C/CO
InChIInChI=1S/C7H12O/c1-6(2)7(3)4-5-8/h4,8H,1,5H2,2-3H3/b7-4+
InChIKeyCWGAOFKDDDVNFW-QPJJXVBHSA-N
MW112.17 g/mol
LogP1.50
Rot. Bonds2

About (2E)-3,4-dimethylpenta-2,4-dien-1-ol

(2E)-3,4-dimethylpenta-2,4-dien-1-ol (PubChem CID 11194310) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (2E)-3,4-dimethylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-3,4-dimethylpenta-2,4-dien-1-ol
PubChem CID11194310
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(2E)-3,4-dimethylpenta-2,4-dien-1-ol
SMILESC=C(C)/C(C)=C/CO
InChIInChI=1S/C7H12O/c1-6(2)7(3)4-5-8/h4,8H,1,5H2,2-3H3/b7-4+
InChIKeyCWGAOFKDDDVNFW-QPJJXVBHSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3,4-dimethylpenta-2,4-dien-1-ol?
The IUPAC name of (2E)-3,4-dimethylpenta-2,4-dien-1-ol (CID 11194310) is (2E)-3,4-dimethylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-3,4-dimethylpenta-2,4-dien-1-ol?
The canonical SMILES for (2E)-3,4-dimethylpenta-2,4-dien-1-ol is C=C(C)/C(C)=C/CO.
What is the InChIKey of (2E)-3,4-dimethylpenta-2,4-dien-1-ol?
The InChIKey is CWGAOFKDDDVNFW-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H12O/c1-6(2)7(3)4-5-8/h4,8H,1,5H2,2-3H3/b7-4+.
What are the key properties of (2E)-3,4-dimethylpenta-2,4-dien-1-ol?
(2E)-3,4-dimethylpenta-2,4-dien-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,4-dimethylpenta-2,4-dien-1-ol is sourced from PubChem (CID 11194310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).