2-propan-2-ylpentylcyclobutane

C12H24 — CID 161147859

IUPAC2-propan-2-ylpentylcyclobutane
SMILESCCCC(CC1CCC1)C(C)C
InChIInChI=1S/C12H24/c1-4-6-12(10(2)3)9-11-7-5-8-11/h10-12H,4-9H2,1-3H3
InChIKeyFLFXZVYBFZFSDN-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds5

About 2-propan-2-ylpentylcyclobutane

2-propan-2-ylpentylcyclobutane (PubChem CID 161147859) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2-propan-2-ylpentylcyclobutane.

Molecular Properties

Compound Name2-propan-2-ylpentylcyclobutane
PubChem CID161147859
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2-propan-2-ylpentylcyclobutane
SMILESCCCC(CC1CCC1)C(C)C
InChIInChI=1S/C12H24/c1-4-6-12(10(2)3)9-11-7-5-8-11/h10-12H,4-9H2,1-3H3
InChIKeyFLFXZVYBFZFSDN-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-propylpentylcyclobutane
CID 123848725
2-(cyclopropylmethyl)pentylcyclobutane
CID 57282892
(4R)-4-(cyclobutylmethyl)-5-methylhexan-2-amine
CID 89058597
[2-(cyclopropylmethyl)-3-methylpentyl]cyclobutane
CID 57296236
[2-(chloromethyl)-3-methylbutyl]cyclopentane
CID 66035214
2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine
CID 63522393
1-cyclobutyl-3-methylhexan-2-ol
CID 115802415
1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658
2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
CID 62529539
(1-cyclobutyl-2-propylpentyl)hydrazine
CID 105340075
2,3,6,8,11-pentamethyltetradecylcyclobutane
CID 123722303
2-prop-1-en-2-ylpentylcyclobutane
CID 123471153

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpentylcyclobutane?
The IUPAC name of 2-propan-2-ylpentylcyclobutane (CID 161147859) is 2-propan-2-ylpentylcyclobutane.
What is the SMILES notation for 2-propan-2-ylpentylcyclobutane?
The canonical SMILES for 2-propan-2-ylpentylcyclobutane is CCCC(CC1CCC1)C(C)C.
What is the InChIKey of 2-propan-2-ylpentylcyclobutane?
The InChIKey is FLFXZVYBFZFSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-6-12(10(2)3)9-11-7-5-8-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-propan-2-ylpentylcyclobutane?
2-propan-2-ylpentylcyclobutane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpentylcyclobutane is sourced from PubChem (CID 161147859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).