3-chloro-1-hept-6-enyl-1-methylcyclopentane

C13H23Cl — CID 107010557

IUPAC3-chloro-1-hept-6-enyl-1-methylcyclopentane
SMILESC=CCCCCCC1(C)CCC(Cl)C1
InChIInChI=1S/C13H23Cl/c1-3-4-5-6-7-9-13(2)10-8-12(14)11-13/h3,12H,1,4-11H2,2H3
InChIKeyDJLIAVHNOHRSBL-UHFFFAOYSA-N
MW214.78 g/mol
LogP4.92
Rot. Bonds6

About 3-chloro-1-hept-6-enyl-1-methylcyclopentane

3-chloro-1-hept-6-enyl-1-methylcyclopentane (PubChem CID 107010557) has the molecular formula C13H23Cl and a molecular weight of 214.78 g/mol. Its IUPAC name is 3-chloro-1-hept-6-enyl-1-methylcyclopentane.

Molecular Properties

Compound Name3-chloro-1-hept-6-enyl-1-methylcyclopentane
PubChem CID107010557
Molecular FormulaC13H23Cl
Molecular Weight214.78 g/mol
Exact Mass214.15
IUPAC Name3-chloro-1-hept-6-enyl-1-methylcyclopentane
SMILESC=CCCCCCC1(C)CCC(Cl)C1
InChIInChI=1S/C13H23Cl/c1-3-4-5-6-7-9-13(2)10-8-12(14)11-13/h3,12H,1,4-11H2,2H3
InChIKeyDJLIAVHNOHRSBL-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.78
LogP ≤ 54.92
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-but-3-enyl-3-chloro-1-methylcyclopentane
CID 116540428
3-but-3-enyl-3-methylcyclopentan-1-amine
CID 116538762
3-bromo-1-but-3-enyl-1-methylcyclopentane
CID 116540764
(2R)-2-dec-9-enyl-2-methyloxetane
CID 102038104
3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955867
trans-(1R,2R)-1-methyl-2-pent-4-enylcyclopropan-1-ol
CID 68751280
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
(1S,2R,3S,4S)-2-hept-6-enyl-1,7,7-trimethyl-3-prop-2-enylbicyclo[2.2.1]heptane-2,3-diol
CID 98561115
4-butyl-1-hept-6-enylcyclohexane-1-carboxylic acid
CID 107007922
3-hex-5-enyl-3-methyldithiolane
CID 144540870
1-dec-9-enyltricyclo[5.2.1.02,6]decane
CID 57130104

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-hept-6-enyl-1-methylcyclopentane?
The IUPAC name of 3-chloro-1-hept-6-enyl-1-methylcyclopentane (CID 107010557) is 3-chloro-1-hept-6-enyl-1-methylcyclopentane.
What is the SMILES notation for 3-chloro-1-hept-6-enyl-1-methylcyclopentane?
The canonical SMILES for 3-chloro-1-hept-6-enyl-1-methylcyclopentane is C=CCCCCCC1(C)CCC(Cl)C1.
What is the InChIKey of 3-chloro-1-hept-6-enyl-1-methylcyclopentane?
The InChIKey is DJLIAVHNOHRSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl/c1-3-4-5-6-7-9-13(2)10-8-12(14)11-13/h3,12H,1,4-11H2,2H3.
What are the key properties of 3-chloro-1-hept-6-enyl-1-methylcyclopentane?
3-chloro-1-hept-6-enyl-1-methylcyclopentane has a molecular weight of 214.78 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-hept-6-enyl-1-methylcyclopentane is sourced from PubChem (CID 107010557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).