1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane

C20H36 — CID 168781110

IUPAC1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
SMILESC1CCC(CC2CCC(CCCCC3CC3)CC2)CC1
InChIInChI=1S/C20H36/c1-2-8-19(9-3-1)16-20-14-12-18(13-15-20)7-5-4-6-17-10-11-17/h17-20H,1-16H2
InChIKeyGFKOLTKXQGDANS-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.73
Rot. Bonds7

About 1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane

1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane (PubChem CID 168781110) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
PubChem CID168781110
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
SMILESC1CCC(CC2CCC(CCCCC3CC3)CC2)CC1
InChIInChI=1S/C20H36/c1-2-8-19(9-3-1)16-20-14-12-18(13-15-20)7-5-4-6-17-10-11-17/h17-20H,1-16H2
InChIKeyGFKOLTKXQGDANS-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyclopentylbutylcyclohexane
CID 144547696
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
cyclopentadecylmethylcyclopentadecane
CID 91804599
3-cyclobutylpropylcyclohexane
CID 54165208
1-(4-chlorobutyl)-4-(4-cyclohexylbutyl)cyclohexane
CID 57205272
4-cycloheptylbutan-1-ol
CID 54439965
carbanide;bis(cyclopentane);cyclopentylmethylcyclopentane;bis(iron(2+))
CID 162297269
5-cyclobutylpentylcyclobutane
CID 173228999
11-cyclohexylundecan-1-ol
CID 18980516
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane?
The IUPAC name of 1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane (CID 168781110) is 1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane is C1CCC(CC2CCC(CCCCC3CC3)CC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane?
The InChIKey is GFKOLTKXQGDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-2-8-19(9-3-1)16-20-14-12-18(13-15-20)7-5-4-6-17-10-11-17/h17-20H,1-16H2.
What are the key properties of 1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane?
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane has a molecular weight of 276.51 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane is sourced from PubChem (CID 168781110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).