2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane

C15H29Cl — CID 174606217

IUPAC2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane
SMILESCCCCC(Cl)C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H29Cl/c1-5-6-7-15(16)14-10-12(4)8-9-13(14)11(2)3/h11-15H,5-10H2,1-4H3
InChIKeySVQPGLHZFDKIAL-UHFFFAOYSA-N
MW244.85 g/mol
LogP5.49
Rot. Bonds5

About 2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane

2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 174606217) has the molecular formula C15H29Cl and a molecular weight of 244.85 g/mol. Its IUPAC name is 2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane
PubChem CID174606217
Molecular FormulaC15H29Cl
Molecular Weight244.85 g/mol
Exact Mass244.20
IUPAC Name2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane
SMILESCCCCC(Cl)C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H29Cl/c1-5-6-7-15(16)14-10-12(4)8-9-13(14)11(2)3/h11-15H,5-10H2,1-4H3
InChIKeySVQPGLHZFDKIAL-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.85
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
1-(5-methyl-2-propan-2-ylcyclohexyl)pentadecyl hypochlorite
CID 70457165
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63944923
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 71403532
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane
CID 19033807
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
2,6-bis(5-methyl-2-propan-2-ylcyclohexyl)heptan-4-one
CID 21245671

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane (CID 174606217) is 2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane is CCCCC(Cl)C1CC(C)CCC1C(C)C.
What is the InChIKey of 2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is SVQPGLHZFDKIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29Cl/c1-5-6-7-15(16)14-10-12(4)8-9-13(14)11(2)3/h11-15H,5-10H2,1-4H3.
What are the key properties of 2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane?
2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 244.85 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 174606217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).