1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane

C20H38 — CID 154060378

IUPAC1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
SMILESCC(C)C1CCC(CCC2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C20H38/c1-15(2)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyPRXTWNPMDOCNNJ-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.69
Rot. Bonds5

About 1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane

1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane (PubChem CID 154060378) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
PubChem CID154060378
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
SMILESCC(C)C1CCC(CCC2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C20H38/c1-15(2)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyPRXTWNPMDOCNNJ-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane
CID 146200730
propan-2-ylcyclopropane;hydroiodide
CID 162314014
4-methyl-1-(4-propan-2-ylcyclohexyl)pentan-3-one;sulfane
CID 177028159
1-(4-propan-2-ylcyclohexyl)pentan-3-one
CID 155707148
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
[(1R,3R)-3-propan-2-ylcyclopentyl]methanol
CID 59340916
(3-propan-2-ylcyclopentyl)methanamine
CID 55290681
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
CID 65091606
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
1-(cyclopropylmethyl)-3-propan-2-ylcyclobutane
CID 91314606

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane (CID 154060378) is 1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane is CC(C)C1CCC(CCC2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane?
The InChIKey is PRXTWNPMDOCNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-15(2)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)16(3)4/h15-20H,5-14H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane?
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane has a molecular weight of 278.52 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 154060378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).