4,4-dimethylpent-1-ene

C7H14 — CID 12984

IUPAC4,4-dimethylpent-1-ene
SMILESC=CCC(C)(C)C
InChIInChI=1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3
InChIKeyKLCNJIQZXOQYTE-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.61
Rot. Bonds1

About 4,4-dimethylpent-1-ene

4,4-dimethylpent-1-ene (PubChem CID 12984) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name4,4-dimethylpent-1-ene
PubChem CID12984
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name4,4-dimethylpent-1-ene
SMILESC=CCC(C)(C)C
InChIInChI=1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3
InChIKeyKLCNJIQZXOQYTE-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,4-dimethylpent-1-ene 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

4-Methyl-1-pentene
CID 12724
3-Methyl-1-pentene
CID 12969
3,3-Dimethylpent-1-ene
CID 18852
1,5-Hexadiene, 3-methyl-
CID 137073
2,3,3-Trimethyl-1,4-pentadiene
CID 136569
(s)-3-Methyl-1-pentene
CID 12375450
(3R)-3-methylpent-1-ene
CID 12375451
1,5-Hexadiene, 3,3-dimethyl-
CID 520106
4,4-Dimethyl-3-methylene-1-pentene
CID 11007845
3-Ethyl-3-methyl-1,4-pentadiene
CID 19880503
2,2-Dimethylpent-4-enyl iodide
CID 11064063
CID 12603487
CID 12603487

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpent-1-ene?
The IUPAC name of 4,4-dimethylpent-1-ene (CID 12984) is 4,4-dimethylpent-1-ene.
What is the SMILES notation for 4,4-dimethylpent-1-ene?
The canonical SMILES for 4,4-dimethylpent-1-ene is C=CCC(C)(C)C.
What is the InChIKey of 4,4-dimethylpent-1-ene?
The InChIKey is KLCNJIQZXOQYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3.
What are the key properties of 4,4-dimethylpent-1-ene?
4,4-dimethylpent-1-ene has a molecular weight of 98.19 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpent-1-ene is sourced from PubChem (CID 12984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).