1-cyclopropylbutan-2-ylcyclopentane

C12H22 — CID 142060963

IUPAC1-cyclopropylbutan-2-ylcyclopentane
SMILESCCC(CC1CC1)C1CCCC1
InChIInChI=1S/C12H22/c1-2-11(9-10-7-8-10)12-5-3-4-6-12/h10-12H,2-9H2,1H3
InChIKeyOBGSAYCBWQHOSK-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds4

About 1-cyclopropylbutan-2-ylcyclopentane

1-cyclopropylbutan-2-ylcyclopentane (PubChem CID 142060963) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-cyclopropylbutan-2-ylcyclopentane.

Molecular Properties

Compound Name1-cyclopropylbutan-2-ylcyclopentane
PubChem CID142060963
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-cyclopropylbutan-2-ylcyclopentane
SMILESCCC(CC1CC1)C1CCCC1
InChIInChI=1S/C12H22/c1-2-11(9-10-7-8-10)12-5-3-4-6-12/h10-12H,2-9H2,1H3
InChIKeyOBGSAYCBWQHOSK-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(2S)-2-cyclooctylbutan-1-ol
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CID 174717926
[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730
pentan-3-ylcyclopropane
CID 19042038
1-methyl-5-pentan-3-ylcyclooctane
CID 161233743
[(2R)-2-cyclohexylbutyl]-methylazanium
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7-cyclohexylheptan-3-ylcyclohexane
CID 90866446
5-methylhexan-3-ylcyclohexane;prop-1-ene
CID 143963262
4-cyclohexylhexan-2-ol
CID 11830109
3-cyclopentylpentanenitrile;ethane
CID 155599188
nonan-3-ylcyclopentane
CID 19893531

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylbutan-2-ylcyclopentane?
The IUPAC name of 1-cyclopropylbutan-2-ylcyclopentane (CID 142060963) is 1-cyclopropylbutan-2-ylcyclopentane.
What is the SMILES notation for 1-cyclopropylbutan-2-ylcyclopentane?
The canonical SMILES for 1-cyclopropylbutan-2-ylcyclopentane is CCC(CC1CC1)C1CCCC1.
What is the InChIKey of 1-cyclopropylbutan-2-ylcyclopentane?
The InChIKey is OBGSAYCBWQHOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-2-11(9-10-7-8-10)12-5-3-4-6-12/h10-12H,2-9H2,1H3.
What are the key properties of 1-cyclopropylbutan-2-ylcyclopentane?
1-cyclopropylbutan-2-ylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylbutan-2-ylcyclopentane is sourced from PubChem (CID 142060963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).