5-chlorohex-5-enylcyclohexane

C12H21Cl — CID 174971012

IUPAC5-chlorohex-5-enylcyclohexane
SMILESC=C(Cl)CCCCC1CCCCC1
InChIInChI=1S/C12H21Cl/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h12H,1-10H2
InChIKeyJUGUYJPDRFPJSV-UHFFFAOYSA-N
MW200.75 g/mol
LogP4.88
Rot. Bonds5

About 5-chlorohex-5-enylcyclohexane

5-chlorohex-5-enylcyclohexane (PubChem CID 174971012) has the molecular formula C12H21Cl and a molecular weight of 200.75 g/mol. Its IUPAC name is 5-chlorohex-5-enylcyclohexane.

Molecular Properties

Compound Name5-chlorohex-5-enylcyclohexane
PubChem CID174971012
Molecular FormulaC12H21Cl
Molecular Weight200.75 g/mol
Exact Mass200.13
IUPAC Name5-chlorohex-5-enylcyclohexane
SMILESC=C(Cl)CCCCC1CCCCC1
InChIInChI=1S/C12H21Cl/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h12H,1-10H2
InChIKeyJUGUYJPDRFPJSV-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.75
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 144547696
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CID 71560336
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13-cyclopentyltridecanoyl chloride
CID 58163625
7-cycloheptylheptanoic acid
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8-cyclooctyloctanoic acid
CID 142719661
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
18-cyclohexyloctadecanamide
CID 70490920
4-cycloheptylbutan-1-ol
CID 54439965
carbonyl dichloride;pentylcyclohexane
CID 19977556
sodium 5-cyclohexylpentanoate
CID 101013497
3-cyclobutylpropylcyclohexane
CID 54165208

Frequently Asked Questions

What is the IUPAC name of 5-chlorohex-5-enylcyclohexane?
The IUPAC name of 5-chlorohex-5-enylcyclohexane (CID 174971012) is 5-chlorohex-5-enylcyclohexane.
What is the SMILES notation for 5-chlorohex-5-enylcyclohexane?
The canonical SMILES for 5-chlorohex-5-enylcyclohexane is C=C(Cl)CCCCC1CCCCC1.
What is the InChIKey of 5-chlorohex-5-enylcyclohexane?
The InChIKey is JUGUYJPDRFPJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Cl/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h12H,1-10H2.
What are the key properties of 5-chlorohex-5-enylcyclohexane?
5-chlorohex-5-enylcyclohexane has a molecular weight of 200.75 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorohex-5-enylcyclohexane is sourced from PubChem (CID 174971012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).