1-tert-butyl-1-prop-1-en-2-ylcyclopentane

C12H22 — CID 143093863

IUPAC1-tert-butyl-1-prop-1-en-2-ylcyclopentane
SMILESC=C(C)C1(C(C)(C)C)CCCC1
InChIInChI=1S/C12H22/c1-10(2)12(11(3,4)5)8-6-7-9-12/h1,6-9H2,2-5H3
InChIKeyZNVYOMQGZAFQSG-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds1

About 1-tert-butyl-1-prop-1-en-2-ylcyclopentane

1-tert-butyl-1-prop-1-en-2-ylcyclopentane (PubChem CID 143093863) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-tert-butyl-1-prop-1-en-2-ylcyclopentane.

Molecular Properties

Compound Name1-tert-butyl-1-prop-1-en-2-ylcyclopentane
PubChem CID143093863
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-tert-butyl-1-prop-1-en-2-ylcyclopentane
SMILESC=C(C)C1(C(C)(C)C)CCCC1
InChIInChI=1S/C12H22/c1-10(2)12(11(3,4)5)8-6-7-9-12/h1,6-9H2,2-5H3
InChIKeyZNVYOMQGZAFQSG-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-1-prop-1-en-2-ylcyclopentane 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

1-(1-tert-butylcyclobutyl)ethanone
CID 58530463
1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 51039629
1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol
CID 10261763
1-tert-butylcyclooctan-1-ol
CID 12697683
lithium 1-methylcyclopentan-1-ol
CID 18764027
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane-1,2-diol
CID 67717737
cis-(1R,3R)-1-methyl-3-prop-1-en-2-ylcyclohexan-1-ol
CID 162915511
1-tert-butylcyclopropane-1-carboxylic acid
CID 55301234
1-tert-butyl-1-methylcyclopentane
CID 21351462
cerium;1-methylcyclohexan-1-ol
CID 146687678
1-tert-butylcyclohexane-1-sulfonic acid
CID 22930345
1-(1,1-difluoroethyl)cyclopentane-1-carboxylic acid
CID 84767538

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-prop-1-en-2-ylcyclopentane?
The IUPAC name of 1-tert-butyl-1-prop-1-en-2-ylcyclopentane (CID 143093863) is 1-tert-butyl-1-prop-1-en-2-ylcyclopentane.
What is the SMILES notation for 1-tert-butyl-1-prop-1-en-2-ylcyclopentane?
The canonical SMILES for 1-tert-butyl-1-prop-1-en-2-ylcyclopentane is C=C(C)C1(C(C)(C)C)CCCC1.
What is the InChIKey of 1-tert-butyl-1-prop-1-en-2-ylcyclopentane?
The InChIKey is ZNVYOMQGZAFQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-10(2)12(11(3,4)5)8-6-7-9-12/h1,6-9H2,2-5H3.
What are the key properties of 1-tert-butyl-1-prop-1-en-2-ylcyclopentane?
1-tert-butyl-1-prop-1-en-2-ylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-prop-1-en-2-ylcyclopentane is sourced from PubChem (CID 143093863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).