1-(2-propan-2-ylcyclopentyl)ethylcyclohexane

C16H30 — CID 142386797

IUPAC1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
SMILESCC(C)C1CCCC1C(C)C1CCCCC1
InChIInChI=1S/C16H30/c1-12(2)15-10-7-11-16(15)13(3)14-8-5-4-6-9-14/h12-16H,4-11H2,1-3H3
InChIKeyNEUMHYJQXDJLSN-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.28
Rot. Bonds3

About 1-(2-propan-2-ylcyclopentyl)ethylcyclohexane

1-(2-propan-2-ylcyclopentyl)ethylcyclohexane (PubChem CID 142386797) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-(2-propan-2-ylcyclopentyl)ethylcyclohexane.

Molecular Properties

Compound Name1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
PubChem CID142386797
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
SMILESCC(C)C1CCCC1C(C)C1CCCCC1
InChIInChI=1S/C16H30/c1-12(2)15-10-7-11-16(15)13(3)14-8-5-4-6-9-14/h12-16H,4-11H2,1-3H3
InChIKeyNEUMHYJQXDJLSN-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane
CID 162051954
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
1-cyclopentylethylcyclohexane
CID 57034702
benzene;propan-2-ylcyclohexane
CID 163364158
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopropylethylcyclopentane
CID 147777183
ethane;methane;propan-2-ylcyclohexane
CID 169430642
3-(1-cyclohexylethyl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
CID 91349857
[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane
CID 173286902
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
1-cyclohexyl-4-(1-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 140664709
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylcyclopentyl)ethylcyclohexane?
The IUPAC name of 1-(2-propan-2-ylcyclopentyl)ethylcyclohexane (CID 142386797) is 1-(2-propan-2-ylcyclopentyl)ethylcyclohexane.
What is the SMILES notation for 1-(2-propan-2-ylcyclopentyl)ethylcyclohexane?
The canonical SMILES for 1-(2-propan-2-ylcyclopentyl)ethylcyclohexane is CC(C)C1CCCC1C(C)C1CCCCC1.
What is the InChIKey of 1-(2-propan-2-ylcyclopentyl)ethylcyclohexane?
The InChIKey is NEUMHYJQXDJLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-12(2)15-10-7-11-16(15)13(3)14-8-5-4-6-9-14/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylcyclopentyl)ethylcyclohexane?
1-(2-propan-2-ylcyclopentyl)ethylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylcyclopentyl)ethylcyclohexane is sourced from PubChem (CID 142386797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).