1-chloro-1-hexylcyclohexane

C12H23Cl — CID 57072771

IUPAC1-chloro-1-hexylcyclohexane
SMILESCCCCCCC1(Cl)CCCCC1
InChIInChI=1S/C12H23Cl/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h2-11H2,1H3
InChIKeyYJNQAFGXNVRYTJ-UHFFFAOYSA-N
MW202.77 g/mol
LogP4.90
Rot. Bonds5

About 1-chloro-1-hexylcyclohexane

1-chloro-1-hexylcyclohexane (PubChem CID 57072771) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is 1-chloro-1-hexylcyclohexane.

Molecular Properties

Compound Name1-chloro-1-hexylcyclohexane
PubChem CID57072771
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name1-chloro-1-hexylcyclohexane
SMILESCCCCCCC1(Cl)CCCCC1
InChIInChI=1S/C12H23Cl/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h2-11H2,1H3
InChIKeyYJNQAFGXNVRYTJ-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
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-methyl-1-undecylcyclohexane
CID 86137257
1,1-di(nonyl)cyclopentane
CID 154318487
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
1,1-dipentylcyclononane
CID 169026027
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1-octadecylcyclohexan-1-ol
CID 67204292
1-hexadecylcyclohexane-1-thiol
CID 165176793
1-heptylcycloheptan-1-amine
CID 63407607
1-heptylcycloheptan-1-ol
CID 57057960
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
cyclopropane;icosane
CID 162221728

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-hexylcyclohexane?
The IUPAC name of 1-chloro-1-hexylcyclohexane (CID 57072771) is 1-chloro-1-hexylcyclohexane.
What is the SMILES notation for 1-chloro-1-hexylcyclohexane?
The canonical SMILES for 1-chloro-1-hexylcyclohexane is CCCCCCC1(Cl)CCCCC1.
What is the InChIKey of 1-chloro-1-hexylcyclohexane?
The InChIKey is YJNQAFGXNVRYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h2-11H2,1H3.
What are the key properties of 1-chloro-1-hexylcyclohexane?
1-chloro-1-hexylcyclohexane has a molecular weight of 202.77 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-hexylcyclohexane is sourced from PubChem (CID 57072771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).