(4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene

C10H14Cl2 — CID 71427903

IUPAC(4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene
SMILESC=C(CCl)[C@@H]1CC=C(CCl)CC1
InChIInChI=1S/C10H14Cl2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2,10H,1,3-7H2/t10-/m1/s1
InChIKeyYSFWVIVMRZBUEI-SNVBAGLBSA-N
MW205.13 g/mol
LogP3.75
Rot. Bonds3

About (4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene

(4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene (PubChem CID 71427903) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is (4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene.

Molecular Properties

Compound Name(4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene
PubChem CID71427903
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name(4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene
SMILESC=C(CCl)[C@@H]1CC=C(CCl)CC1
InChIInChI=1S/C10H14Cl2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2,10H,1,3-7H2/t10-/m1/s1
InChIKeyYSFWVIVMRZBUEI-SNVBAGLBSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexene, 1-chloro-4-(1-chlorophenyl)-
CID 26101
2-Norbornene, 2-chloromethyl-
CID 3057447
Cyclohexene, 1-chloro-5-(1-chloroethenyl)-
CID 26102
Citronellyl chloride
CID 9815366
4-(Chloromethyl)cyclohexene
CID 556956
1-(Chloromethyl)-4-prop-1-en-2-ylcyclohexene
CID 11105804
1-[(Z)-1,2-dichloroethenyl]cyclohexene
CID 135058109
(4R,5R)-4-chloro-5-[(E)-2-chloroethenyl]-1-(chloromethyl)-5-methylcyclohexene
CID 22832150
(E)-1,7-dichloro-3,7-dimethyloct-2-ene
CID 11356252
[(E)-3-chloroprop-1-enyl]cyclohexane
CID 11423737
1-Chloro-2-(cyclohex-3-enyl)ethane
CID 12480857
3-(2-Chloroethyl)cyclohexene
CID 13866449

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene?
The IUPAC name of (4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene (CID 71427903) is (4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene.
What is the SMILES notation for (4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene?
The canonical SMILES for (4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene is C=C(CCl)[C@@H]1CC=C(CCl)CC1.
What is the InChIKey of (4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene?
The InChIKey is YSFWVIVMRZBUEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14Cl2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2,10H,1,3-7H2/t10-/m1/s1.
What are the key properties of (4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene?
(4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene has a molecular weight of 205.13 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(chloromethyl)-4-(3-chloroprop-1-en-2-yl)cyclohexene is sourced from PubChem (CID 71427903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).