2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane

C12H20 — CID 162349015

IUPAC2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane
SMILESC=C(CCC1CC1(C)C)C1CC1
InChIInChI=1S/C12H20/c1-9(10-5-6-10)4-7-11-8-12(11,2)3/h10-11H,1,4-8H2,2-3H3
InChIKeyAIYMUKXGSREBTO-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.78
Rot. Bonds4

About 2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane

2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane (PubChem CID 162349015) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane
PubChem CID162349015
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane
SMILESC=C(CCC1CC1(C)C)C1CC1
InChIInChI=1S/C12H20/c1-9(10-5-6-10)4-7-11-8-12(11,2)3/h10-11H,1,4-8H2,2-3H3
InChIKeyAIYMUKXGSREBTO-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one
CID 134971339
3-cyclopropyl-N-methylbut-3-en-1-amine
CID 117269164
5-[(1R)-2,2-dimethylcyclopropyl]-3-methylpent-2-enal
CID 91455150
5-[(1S)-2,2-dimethylcyclopropyl]-3-methylpent-2-enal
CID 91491670
5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enenitrile
CID 66918198
8-(2,2-dimethylcyclopropyl)octan-1-ol
CID 156501168
1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane
CID 143264117
8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one
CID 85389566
5-methylhexa-1,5-dien-2-ylcyclohexane
CID 123720137
1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane
CID 142613553
3-cyclopentyl-N-methylbut-3-en-1-amine
CID 117269178
6,10-dimethylundec-1-en-2-ylcyclopropane
CID 123693497

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane (CID 162349015) is 2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane is C=C(CCC1CC1(C)C)C1CC1.
What is the InChIKey of 2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane?
The InChIKey is AIYMUKXGSREBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9(10-5-6-10)4-7-11-8-12(11,2)3/h10-11H,1,4-8H2,2-3H3.
What are the key properties of 2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane?
2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane has a molecular weight of 164.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 162349015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).