2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane

C19H35Cl — CID 143290000

IUPAC2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane
SMILESCCCC1CCC(CC(C)C2CCC(C)CC2)C(Cl)C1
InChIInChI=1S/C19H35Cl/c1-4-5-16-8-11-18(19(20)13-16)12-15(3)17-9-6-14(2)7-10-17/h14-19H,4-13H2,1-3H3
InChIKeyYURJERLLINTXNZ-UHFFFAOYSA-N
MW298.94 g/mol
LogP6.66
Rot. Bonds5

About 2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane

2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane (PubChem CID 143290000) has the molecular formula C19H35Cl and a molecular weight of 298.94 g/mol. Its IUPAC name is 2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane.

Molecular Properties

Compound Name2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane
PubChem CID143290000
Molecular FormulaC19H35Cl
Molecular Weight298.94 g/mol
Exact Mass298.24
IUPAC Name2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane
SMILESCCCC1CCC(CC(C)C2CCC(C)CC2)C(Cl)C1
InChIInChI=1S/C19H35Cl/c1-4-5-16-8-11-18(19(20)13-16)12-15(3)17-9-6-14(2)7-10-17/h14-19H,4-13H2,1-3H3
InChIKeyYURJERLLINTXNZ-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.94
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane 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-(2-methylpropyl)-3-propylcyclopentane
CID 14325896
1-(1-chloroethyl)-3-propylcyclopentane
CID 130233660
1-butan-2-yl-3-propylcyclopentane
CID 123336585
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
CID 114284991
(2R)-2-chloro-1,4-diethylcyclohexane
CID 58445540
1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane
CID 123952928
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane
CID 142573573
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane?
The IUPAC name of 2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane (CID 143290000) is 2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane.
What is the SMILES notation for 2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane?
The canonical SMILES for 2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane is CCCC1CCC(CC(C)C2CCC(C)CC2)C(Cl)C1.
What is the InChIKey of 2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane?
The InChIKey is YURJERLLINTXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35Cl/c1-4-5-16-8-11-18(19(20)13-16)12-15(3)17-9-6-14(2)7-10-17/h14-19H,4-13H2,1-3H3.
What are the key properties of 2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane?
2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane has a molecular weight of 298.94 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane is sourced from PubChem (CID 143290000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).