1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane

C21H38 — CID 143599069

IUPAC1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane
SMILESCCC1CCCC(CC2CCC(C3CCCCC3)C2)C1C
InChIInChI=1S/C21H38/c1-3-18-10-7-11-20(16(18)2)14-17-12-13-21(15-17)19-8-5-4-6-9-19/h16-21H,3-15H2,1-2H3
InChIKeyKDGOICIOOFNWQW-UHFFFAOYSA-N
MW290.54 g/mol
LogP6.84
Rot. Bonds4

About 1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane

1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane (PubChem CID 143599069) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane.

Molecular Properties

Compound Name1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane
PubChem CID143599069
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane
SMILESCCC1CCCC(CC2CCC(C3CCCCC3)C2)C1C
InChIInChI=1S/C21H38/c1-3-18-10-7-11-20(16(18)2)14-17-12-13-21(15-17)19-8-5-4-6-9-19/h16-21H,3-15H2,1-2H3
InChIKeyKDGOICIOOFNWQW-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3-ethylcyclopentyl)cyclohexane
CID 142208206
1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane
CID 165014149
1,3,6-triethyl-2-methylcyclononane
CID 58552764
3-(3-ethyl-4-methylcyclohexyl)-14-pentylbicyclo[9.4.0]pentadecane
CID 58552613
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208
1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
CID 143182183
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
(3-cyclohexylcyclopentyl)methanamine
CID 83636273
1,3-diethyl-2-methylcyclopentane
CID 123589151

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane?
The IUPAC name of 1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane (CID 143599069) is 1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane.
What is the SMILES notation for 1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane?
The canonical SMILES for 1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane is CCC1CCCC(CC2CCC(C3CCCCC3)C2)C1C.
What is the InChIKey of 1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane?
The InChIKey is KDGOICIOOFNWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-3-18-10-7-11-20(16(18)2)14-17-12-13-21(15-17)19-8-5-4-6-9-19/h16-21H,3-15H2,1-2H3.
What are the key properties of 1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane?
1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane has a molecular weight of 290.54 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane is sourced from PubChem (CID 143599069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).