1-butan-2-yl-3-propylcyclopentane

C12H24 — CID 123336585

IUPAC1-butan-2-yl-3-propylcyclopentane
SMILESCCCC1CCC(C(C)CC)C1
InChIInChI=1S/C12H24/c1-4-6-11-7-8-12(9-11)10(3)5-2/h10-12H,4-9H2,1-3H3
InChIKeyGVOCXLKURYORFG-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds4

About 1-butan-2-yl-3-propylcyclopentane

1-butan-2-yl-3-propylcyclopentane (PubChem CID 123336585) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-butan-2-yl-3-propylcyclopentane.

Molecular Properties

Compound Name1-butan-2-yl-3-propylcyclopentane
PubChem CID123336585
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-butan-2-yl-3-propylcyclopentane
SMILESCCCC1CCC(C(C)CC)C1
InChIInChI=1S/C12H24/c1-4-6-11-7-8-12(9-11)10(3)5-2/h10-12H,4-9H2,1-3H3
InChIKeyGVOCXLKURYORFG-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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

1-(1-chloroethyl)-3-propylcyclopentane
CID 130233660
1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
CID 162271463
1-[(3-butan-2-ylcyclopentyl)methyl]piperidine
CID 71268081
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1-(2-methylpropyl)-3-propylcyclopentane
CID 14325896
1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane
CID 142573573
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
3-[3-(2-hydroxyethyl)cyclopentyl]butan-1-ol
CID 67877346
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
(3-butan-2-ylcyclopentyl)-trimethylsilane
CID 176746721
2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane
CID 143290000

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-propylcyclopentane?
The IUPAC name of 1-butan-2-yl-3-propylcyclopentane (CID 123336585) is 1-butan-2-yl-3-propylcyclopentane.
What is the SMILES notation for 1-butan-2-yl-3-propylcyclopentane?
The canonical SMILES for 1-butan-2-yl-3-propylcyclopentane is CCCC1CCC(C(C)CC)C1.
What is the InChIKey of 1-butan-2-yl-3-propylcyclopentane?
The InChIKey is GVOCXLKURYORFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-6-11-7-8-12(9-11)10(3)5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-propylcyclopentane?
1-butan-2-yl-3-propylcyclopentane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-propylcyclopentane is sourced from PubChem (CID 123336585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).