1-(chloromethyl)-1-pentylcyclohexane

C12H23Cl — CID 66036692

IUPAC1-(chloromethyl)-1-pentylcyclohexane
SMILESCCCCCC1(CCl)CCCCC1
InChIInChI=1S/C12H23Cl/c1-2-3-5-8-12(11-13)9-6-4-7-10-12/h2-11H2,1H3
InChIKeyZODGMQWWBQOBIP-UHFFFAOYSA-N
MW202.77 g/mol
LogP4.76
Rot. Bonds5

About 1-(chloromethyl)-1-pentylcyclohexane

1-(chloromethyl)-1-pentylcyclohexane (PubChem CID 66036692) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is 1-(chloromethyl)-1-pentylcyclohexane.

Molecular Properties

Compound Name1-(chloromethyl)-1-pentylcyclohexane
PubChem CID66036692
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name1-(chloromethyl)-1-pentylcyclohexane
SMILESCCCCCC1(CCl)CCCCC1
InChIInChI=1S/C12H23Cl/c1-2-3-5-8-12(11-13)9-6-4-7-10-12/h2-11H2,1H3
InChIKeyZODGMQWWBQOBIP-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.77
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-dipentylcyclononane
CID 169026027
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
(1-hexylcyclohexyl)methanol
CID 66024993
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
(1-pentylcyclopentyl)methanamine
CID 62725889
1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
CID 106459535
1-butyl-1-(1-ethylcyclohexyl)cyclohexane
CID 173123724
1-chloro-1-hexylcyclohexane
CID 57072771
1-(chloromethyl)-3-methyl-1-pentylcyclobutane
CID 165442795

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-pentylcyclohexane?
The IUPAC name of 1-(chloromethyl)-1-pentylcyclohexane (CID 66036692) is 1-(chloromethyl)-1-pentylcyclohexane.
What is the SMILES notation for 1-(chloromethyl)-1-pentylcyclohexane?
The canonical SMILES for 1-(chloromethyl)-1-pentylcyclohexane is CCCCCC1(CCl)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-1-pentylcyclohexane?
The InChIKey is ZODGMQWWBQOBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl/c1-2-3-5-8-12(11-13)9-6-4-7-10-12/h2-11H2,1H3.
What are the key properties of 1-(chloromethyl)-1-pentylcyclohexane?
1-(chloromethyl)-1-pentylcyclohexane has a molecular weight of 202.77 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-pentylcyclohexane is sourced from PubChem (CID 66036692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).