2,3,3-trimethylbut-1-ene

C7H14 — CID 11669

IUPAC2,3,3-trimethylbut-1-ene
SMILESC=C(C)C(C)(C)C
InChIInChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3
InChIKeyAUYRUAVCWOAHQN-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.61
Rot. Bonds

About 2,3,3-trimethylbut-1-ene

2,3,3-trimethylbut-1-ene (PubChem CID 11669) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 2,3,3-trimethylbut-1-ene.

Molecular Properties

Compound Name2,3,3-trimethylbut-1-ene
PubChem CID11669
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name2,3,3-trimethylbut-1-ene
SMILESC=C(C)C(C)(C)C
InChIInChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3
InChIKeyAUYRUAVCWOAHQN-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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 2,3,3-trimethylbut-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

2-Methyl-1-butene
CID 11240
2,3-Dimethyl-1-butene
CID 11249
3,4,4-Trimethylpenta-1,2-diene
CID 11125711
Butyl, 2-methylene-
CID 143693
(Z)-1-fluoro-2,3,3-trimethylbut-1-ene
CID 129288761
2-(Fluoromethyl)-3,3-dimethylbut-1-ene
CID 164779229
2-(Iodomethyl)-3,3-dimethylbut-1-ene
CID 71659148
4,4,5-Trimethylhexa-1,2,5-triene
CID 85563044
CID 135081287
CID 135081287
CID 10529073
CID 10529073
4-Deuterio-2-methylbut-1-ene
CID 12365345
3-Deuterio-2-methylbut-1-ene
CID 12365346

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylbut-1-ene?
The IUPAC name of 2,3,3-trimethylbut-1-ene (CID 11669) is 2,3,3-trimethylbut-1-ene.
What is the SMILES notation for 2,3,3-trimethylbut-1-ene?
The canonical SMILES for 2,3,3-trimethylbut-1-ene is C=C(C)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethylbut-1-ene?
The InChIKey is AUYRUAVCWOAHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3.
What are the key properties of 2,3,3-trimethylbut-1-ene?
2,3,3-trimethylbut-1-ene has a molecular weight of 98.19 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylbut-1-ene is sourced from PubChem (CID 11669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).