1,2-dichloro-1-pentylcyclohexane

C11H20Cl2 — CID 174750569

IUPAC1,2-dichloro-1-pentylcyclohexane
SMILESCCCCCC1(Cl)CCCCC1Cl
InChIInChI=1S/C11H20Cl2/c1-2-3-5-8-11(13)9-6-4-7-10(11)12/h10H,2-9H2,1H3
InChIKeyGJQASFIZRLIHJK-UHFFFAOYSA-N
MW223.19 g/mol
LogP4.73
Rot. Bonds4

About 1,2-dichloro-1-pentylcyclohexane

1,2-dichloro-1-pentylcyclohexane (PubChem CID 174750569) has the molecular formula C11H20Cl2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 1,2-dichloro-1-pentylcyclohexane.

Molecular Properties

Compound Name1,2-dichloro-1-pentylcyclohexane
PubChem CID174750569
Molecular FormulaC11H20Cl2
Molecular Weight223.19 g/mol
Exact Mass222.09
IUPAC Name1,2-dichloro-1-pentylcyclohexane
SMILESCCCCCC1(Cl)CCCCC1Cl
InChIInChI=1S/C11H20Cl2/c1-2-3-5-8-11(13)9-6-4-7-10(11)12/h10H,2-9H2,1H3
InChIKeyGJQASFIZRLIHJK-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 54.73
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-chloro-1-hexylcyclohexane
CID 57072771
7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
1,1-dipentylcyclononane
CID 169026027
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
cis-(1S,2S)-2-chloro-1-hex-1-ynylcyclohexan-1-ol
CID 134889581
2-tert-butyl-1-pentylcyclohexan-1-ol
CID 65147794
2-ethyl-1-nonylcyclohexan-1-ol
CID 65149326
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1-pentylcyclohexane?
The IUPAC name of 1,2-dichloro-1-pentylcyclohexane (CID 174750569) is 1,2-dichloro-1-pentylcyclohexane.
What is the SMILES notation for 1,2-dichloro-1-pentylcyclohexane?
The canonical SMILES for 1,2-dichloro-1-pentylcyclohexane is CCCCCC1(Cl)CCCCC1Cl.
What is the InChIKey of 1,2-dichloro-1-pentylcyclohexane?
The InChIKey is GJQASFIZRLIHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Cl2/c1-2-3-5-8-11(13)9-6-4-7-10(11)12/h10H,2-9H2,1H3.
What are the key properties of 1,2-dichloro-1-pentylcyclohexane?
1,2-dichloro-1-pentylcyclohexane has a molecular weight of 223.19 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1-pentylcyclohexane is sourced from PubChem (CID 174750569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).