1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane

C16H28 — CID 143182183

IUPAC1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
SMILESC1CCC(C2CCC(CC3CC3)CC2)CC1
InChIInChI=1S/C16H28/c1-2-4-15(5-3-1)16-10-8-14(9-11-16)12-13-6-7-13/h13-16H,1-12H2
InChIKeyVEYKSEHGFHLKGP-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.17
Rot. Bonds3

About 1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane

1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane (PubChem CID 143182183) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
PubChem CID143182183
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
SMILESC1CCC(C2CCC(CC3CC3)CC2)CC1
InChIInChI=1S/C16H28/c1-2-4-15(5-3-1)16-10-8-14(9-11-16)12-13-6-7-13/h13-16H,1-12H2
InChIKeyVEYKSEHGFHLKGP-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
cyclopentadecylmethylcyclopentadecane
CID 91804599
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
carbanide;bis(cyclopentane);cyclopentylmethylcyclopentane;bis(iron(2+))
CID 162297269
1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane
CID 165014149

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane?
The IUPAC name of 1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane (CID 143182183) is 1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane is C1CCC(C2CCC(CC3CC3)CC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane?
The InChIKey is VEYKSEHGFHLKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-2-4-15(5-3-1)16-10-8-14(9-11-16)12-13-6-7-13/h13-16H,1-12H2.
What are the key properties of 1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane?
1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane has a molecular weight of 220.40 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane is sourced from PubChem (CID 143182183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).