trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane

C19H36 — CID 18640232

IUPACtrans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane
SMILESCCCC[C@@H]1CCC[C@@H](C2CCC(CCC)CC2)C1
InChIInChI=1S/C19H36/c1-3-5-8-17-9-6-10-19(15-17)18-13-11-16(7-4-2)12-14-18/h16-19H,3-15H2,1-2H3/t16?,17-,18?,19-/m1/s1
InChIKeyADFSZTVIFIISMO-JWHDQAAXSA-N
MW264.50 g/mol
LogP6.59
Rot. Bonds6

About trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane

trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane (PubChem CID 18640232) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Nametrans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane
PubChem CID18640232
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Nametrans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane
SMILESCCCC[C@@H]1CCC[C@@H](C2CCC(CCC)CC2)C1
InChIInChI=1S/C19H36/c1-3-5-8-17-9-6-10-19(15-17)18-13-11-16(7-4-2)12-14-18/h16-19H,3-15H2,1-2H3/t16?,17-,18?,19-/m1/s1
InChIKeyADFSZTVIFIISMO-JWHDQAAXSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)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

cis-(1S,3R)-1-butyl-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexane
CID 18640233
trans-(1R,3R)-1-heptyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640305
1-butyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexane
CID 23041228
(2S,4aR,8aR)-2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 95479599
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
3-propylbicyclo[4.2.0]octane
CID 145186098
1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane
CID 58552665
3-propylbicyclo[5.1.0]octane
CID 123651402
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
(6R,8aR)-2-butyl-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54310090

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane (CID 18640232) is trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane is CCCC[C@@H]1CCC[C@@H](C2CCC(CCC)CC2)C1.
What is the InChIKey of trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane?
The InChIKey is ADFSZTVIFIISMO-JWHDQAAXSA-N. The full InChI is InChI=1S/C19H36/c1-3-5-8-17-9-6-10-19(15-17)18-13-11-16(7-4-2)12-14-18/h16-19H,3-15H2,1-2H3/t16?,17-,18?,19-/m1/s1.
What are the key properties of trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane?
trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane has a molecular weight of 264.50 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 18640232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).