(1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane

C18H32 — CID 174717926

IUPAC(1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane
SMILESC1CCC(C(CC2CCCC2)CC2CCC2)CC1
InChIInChI=1S/C18H32/c1-2-11-17(12-3-1)18(14-16-9-6-10-16)13-15-7-4-5-8-15/h15-18H,1-14H2
InChIKeyIQSRIYTXQYLLCR-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.95
Rot. Bonds5

About (1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane

(1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane (PubChem CID 174717926) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is (1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane.

Molecular Properties

Compound Name(1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane
PubChem CID174717926
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name(1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane
SMILESC1CCC(C(CC2CCCC2)CC2CCC2)CC1
InChIInChI=1S/C18H32/c1-2-11-17(12-3-1)18(14-16-9-6-10-16)13-15-7-4-5-8-15/h15-18H,1-14H2
InChIKeyIQSRIYTXQYLLCR-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene
CID 158632163
1,2-dicyclohexylethylcyclohexane
CID 158413043
1-cyclopropylbutan-2-ylcyclopentane
CID 142060963
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005
4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine
CID 57178325
(1-cyclobutyl-2-cycloheptylethyl)hydrazine
CID 105340070
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
4-(2-cyclohexylbutyl)cyclohexan-1-ol
CID 143270572
2-cyclopropylheptylcyclohexane
CID 57268487
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane?
The IUPAC name of (1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane (CID 174717926) is (1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane.
What is the SMILES notation for (1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane?
The canonical SMILES for (1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane is C1CCC(C(CC2CCCC2)CC2CCC2)CC1.
What is the InChIKey of (1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane?
The InChIKey is IQSRIYTXQYLLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-2-11-17(12-3-1)18(14-16-9-6-10-16)13-15-7-4-5-8-15/h15-18H,1-14H2.
What are the key properties of (1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane?
(1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane is sourced from PubChem (CID 174717926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).