1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane

C18H32 — CID 165014149

IUPAC1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane
SMILESCCC1CCC1CC1CCC(C2CCCC2)CC1
InChIInChI=1S/C18H32/c1-2-15-11-12-18(15)13-14-7-9-17(10-8-14)16-5-3-4-6-16/h14-18H,2-13H2,1H3
InChIKeyKDRGYCDPAZOTOO-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.81
Rot. Bonds4

About 1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane

1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane (PubChem CID 165014149) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane.

Molecular Properties

Compound Name1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane
PubChem CID165014149
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane
SMILESCCC1CCC1CC1CCC(C2CCCC2)CC1
InChIInChI=1S/C18H32/c1-2-15-11-12-18(15)13-14-7-9-17(10-8-14)16-5-3-4-6-16/h14-18H,2-13H2,1H3
InChIKeyKDRGYCDPAZOTOO-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
CID 143182183
1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane
CID 143599069
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
(3-ethylcyclopentyl)cyclohexane
CID 142208206
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene;1-(cyclohexylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 158442689
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
CID 160611346
CID 160611346
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
CID 143787282
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane?
The IUPAC name of 1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane (CID 165014149) is 1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane.
What is the SMILES notation for 1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane?
The canonical SMILES for 1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane is CCC1CCC1CC1CCC(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane?
The InChIKey is KDRGYCDPAZOTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-2-15-11-12-18(15)13-14-7-9-17(10-8-14)16-5-3-4-6-16/h14-18H,2-13H2,1H3.
What are the key properties of 1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane?
1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane is sourced from PubChem (CID 165014149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).