3,4-dimethylpent-4-en-1-ol

C7H14O — CID 14417455

IUPAC3,4-dimethylpent-4-en-1-ol
SMILESC=C(C)C(C)CCO
InChIInChI=1S/C7H14O/c1-6(2)7(3)4-5-8/h7-8H,1,4-5H2,2-3H3
InChIKeyORARJWWBDWOCMZ-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.58
Rot. Bonds3

About 3,4-dimethylpent-4-en-1-ol

3,4-dimethylpent-4-en-1-ol (PubChem CID 14417455) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 3,4-dimethylpent-4-en-1-ol.

Molecular Properties

Compound Name3,4-dimethylpent-4-en-1-ol
PubChem CID14417455
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name3,4-dimethylpent-4-en-1-ol
SMILESC=C(C)C(C)CCO
InChIInChI=1S/C7H14O/c1-6(2)7(3)4-5-8/h7-8H,1,4-5H2,2-3H3
InChIKeyORARJWWBDWOCMZ-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dimethylpent-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,7-trimethyloct-1-ene
CID 123245102
2,3,8-trimethylnona-1,8-diene
CID 155711646
2,3-dimethylpent-1-ene;ethane
CID 143286891
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190
2,3,5,8-tetramethylnon-1-ene
CID 123958758
2-amino-4,5-dimethylhex-5-en-2-ol
CID 138459960
6-(1-chloroethenyl)-2,3-dimethylnon-1-ene
CID 167238978
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
4-hydroxy-2-methylbutanoic acid;hydrochloride
CID 90219221
2,3,5-trimethylocta-1,5-diene
CID 123730712
5,6-dimethylhept-6-ene-1,4-diol
CID 22323961

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-4-en-1-ol?
The IUPAC name of 3,4-dimethylpent-4-en-1-ol (CID 14417455) is 3,4-dimethylpent-4-en-1-ol.
What is the SMILES notation for 3,4-dimethylpent-4-en-1-ol?
The canonical SMILES for 3,4-dimethylpent-4-en-1-ol is C=C(C)C(C)CCO.
What is the InChIKey of 3,4-dimethylpent-4-en-1-ol?
The InChIKey is ORARJWWBDWOCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-6(2)7(3)4-5-8/h7-8H,1,4-5H2,2-3H3.
What are the key properties of 3,4-dimethylpent-4-en-1-ol?
3,4-dimethylpent-4-en-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-4-en-1-ol is sourced from PubChem (CID 14417455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).