2,4-dimethylpenta-1,4-dien-3-ol

C7H12O — CID 11804709

IUPAC2,4-dimethylpenta-1,4-dien-3-ol
SMILESC=C(C)C(O)C(=C)C
InChIInChI=1S/C7H12O/c1-5(2)7(8)6(3)4/h7-8H,1,3H2,2,4H3
InChIKeyZIJURIQJZDTFEO-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.50
Rot. Bonds2

About 2,4-dimethylpenta-1,4-dien-3-ol

2,4-dimethylpenta-1,4-dien-3-ol (PubChem CID 11804709) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2,4-dimethylpenta-1,4-dien-3-ol.

Molecular Properties

Compound Name2,4-dimethylpenta-1,4-dien-3-ol
PubChem CID11804709
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2,4-dimethylpenta-1,4-dien-3-ol
SMILESC=C(C)C(O)C(=C)C
InChIInChI=1S/C7H12O/c1-5(2)7(8)6(3)4/h7-8H,1,3H2,2,4H3
InChIKeyZIJURIQJZDTFEO-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 20928
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CID 12020
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CID 102730
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CID 6992421
CID 6992421
CID 140185
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CID 142714
CID 142714
CID 10678185
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CID 1549701
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CID 140186
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CID 140606
CID 140606

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpenta-1,4-dien-3-ol?
The IUPAC name of 2,4-dimethylpenta-1,4-dien-3-ol (CID 11804709) is 2,4-dimethylpenta-1,4-dien-3-ol.
What is the SMILES notation for 2,4-dimethylpenta-1,4-dien-3-ol?
The canonical SMILES for 2,4-dimethylpenta-1,4-dien-3-ol is C=C(C)C(O)C(=C)C.
What is the InChIKey of 2,4-dimethylpenta-1,4-dien-3-ol?
The InChIKey is ZIJURIQJZDTFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5(2)7(8)6(3)4/h7-8H,1,3H2,2,4H3.
What are the key properties of 2,4-dimethylpenta-1,4-dien-3-ol?
2,4-dimethylpenta-1,4-dien-3-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 2,4-dimethylpenta-1,4-dien-3-ol is sourced from PubChem (CID 11804709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).