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

C7H12O — CID 173388634

IUPAC(1E)-3,4-dimethylpenta-1,3-dien-1-ol
SMILESCC(C)=C(C)/C=C/O
InChIInChI=1S/C7H12O/c1-6(2)7(3)4-5-8/h4-5,8H,1-3H3/b5-4+
InChIKeySQOQPLJZCVGVKB-SNAWJCMRSA-N
MW112.17 g/mol
LogP2.41
Rot. Bonds1

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

(1E)-3,4-dimethylpenta-1,3-dien-1-ol (PubChem CID 173388634) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (1E)-3,4-dimethylpenta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1E)-3,4-dimethylpenta-1,3-dien-1-ol
PubChem CID173388634
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(1E)-3,4-dimethylpenta-1,3-dien-1-ol
SMILESCC(C)=C(C)/C=C/O
InChIInChI=1S/C7H12O/c1-6(2)7(3)4-5-8/h4-5,8H,1-3H3/b5-4+
InChIKeySQOQPLJZCVGVKB-SNAWJCMRSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
CID 144535129
3,4-dimethylpenta-1,3-diene
CID 6713443
(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene
CID 177034485
3-methylhexa-1,3,5-trien-1-ol
CID 173388708
3-methylhexa-1,3-dien-1-ol
CID 154284508
3,4-dimethylpenta-1,3-dienoxy(triethyl)silane
CID 54355677
(4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene
CID 87328569
N,2,3-trimethylbut-2-en-1-imine
CID 123452663
(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene
CID 142272318
(2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid
CID 134855099
(2E,4Z)-N-ethyl-6,7-dimethylocta-2,4,6-trien-3-amine;propan-2-one
CID 143458427
(3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide
CID 142170596

Frequently Asked Questions

What is the IUPAC name of (1E)-3,4-dimethylpenta-1,3-dien-1-ol?
The IUPAC name of (1E)-3,4-dimethylpenta-1,3-dien-1-ol (CID 173388634) is (1E)-3,4-dimethylpenta-1,3-dien-1-ol.
What is the SMILES notation for (1E)-3,4-dimethylpenta-1,3-dien-1-ol?
The canonical SMILES for (1E)-3,4-dimethylpenta-1,3-dien-1-ol is CC(C)=C(C)/C=C/O.
What is the InChIKey of (1E)-3,4-dimethylpenta-1,3-dien-1-ol?
The InChIKey is SQOQPLJZCVGVKB-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H12O/c1-6(2)7(3)4-5-8/h4-5,8H,1-3H3/b5-4+.
What are the key properties of (1E)-3,4-dimethylpenta-1,3-dien-1-ol?
(1E)-3,4-dimethylpenta-1,3-dien-1-ol has a molecular weight of 112.17 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3,4-dimethylpenta-1,3-dien-1-ol is sourced from PubChem (CID 173388634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).