2-prop-1-en-2-ylpentylcyclobutane

C12H22 — CID 123471153

IUPAC2-prop-1-en-2-ylpentylcyclobutane
SMILESC=C(C)C(CCC)CC1CCC1
InChIInChI=1S/C12H22/c1-4-6-12(10(2)3)9-11-7-5-8-11/h11-12H,2,4-9H2,1,3H3
InChIKeyXCEBRCGZGACMAS-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds5

About 2-prop-1-en-2-ylpentylcyclobutane

2-prop-1-en-2-ylpentylcyclobutane (PubChem CID 123471153) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-prop-1-en-2-ylpentylcyclobutane.

Molecular Properties

Compound Name2-prop-1-en-2-ylpentylcyclobutane
PubChem CID123471153
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-prop-1-en-2-ylpentylcyclobutane
SMILESC=C(C)C(CCC)CC1CCC1
InChIInChI=1S/C12H22/c1-4-6-12(10(2)3)9-11-7-5-8-11/h11-12H,2,4-9H2,1,3H3
InChIKeyXCEBRCGZGACMAS-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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'}

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Related Compounds

2-propylpentylcyclobutane
CID 123848725
2-(cyclopropylmethyl)pentylcyclobutane
CID 57282892
1-cyclobutyl-3-methylhexan-2-ol
CID 115802415
2-propan-2-ylpentylcyclobutane
CID 161147859
3-(cyclopentylmethyl)-5-hydroxypentan-2-one
CID 103344013
2-(cyclobutylmethyl)-N-methylhexanamide
CID 89102892
5-cyclopentyl-4-hydroxy-2-propylpentanoic acid
CID 103159525
5-(cyclopropylmethyl)-2-methyloctan-4-one
CID 59143682
1-cycloheptyl-N-ethyl-3-methylbut-3-en-2-amine
CID 105005423
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one
CID 119410735
1-cyclobutyl-4-methylpent-4-en-2-amine
CID 89233706
butane-1,1-diol;[3-(hydroxymethyl)cyclohexyl]methanol
CID 67345161

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylpentylcyclobutane?
The IUPAC name of 2-prop-1-en-2-ylpentylcyclobutane (CID 123471153) is 2-prop-1-en-2-ylpentylcyclobutane.
What is the SMILES notation for 2-prop-1-en-2-ylpentylcyclobutane?
The canonical SMILES for 2-prop-1-en-2-ylpentylcyclobutane is C=C(C)C(CCC)CC1CCC1.
What is the InChIKey of 2-prop-1-en-2-ylpentylcyclobutane?
The InChIKey is XCEBRCGZGACMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-6-12(10(2)3)9-11-7-5-8-11/h11-12H,2,4-9H2,1,3H3.
What are the key properties of 2-prop-1-en-2-ylpentylcyclobutane?
2-prop-1-en-2-ylpentylcyclobutane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylpentylcyclobutane is sourced from PubChem (CID 123471153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).