(1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane

C10H14Cl4 — CID 98545915

IUPAC(1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane
SMILESC[C@@]1(Cl)C[C@@](C)(/C=C\Cl)[C@@H](Cl)C[C@H]1Cl
InChIInChI=1S/C10H14Cl4/c1-9(3-4-11)6-10(2,14)8(13)5-7(9)12/h3-4,7-8H,5-6H2,1-2H3/b4-3-/t7-,8+,9+,10+/m0/s1
InChIKeyUIRLQTKDEMKKKG-VWQJUTLFSA-N
MW276.03 g/mol
LogP4.75
Rot. Bonds1

About (1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane

(1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane (PubChem CID 98545915) has the molecular formula C10H14Cl4 and a molecular weight of 276.03 g/mol. Its IUPAC name is (1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane.

Molecular Properties

Compound Name(1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane
PubChem CID98545915
Molecular FormulaC10H14Cl4
Molecular Weight276.03 g/mol
Exact Mass273.98
IUPAC Name(1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane
SMILESC[C@@]1(Cl)C[C@@](C)(/C=C\Cl)[C@@H](Cl)C[C@H]1Cl
InChIInChI=1S/C10H14Cl4/c1-9(3-4-11)6-10(2,14)8(13)5-7(9)12/h3-4,7-8H,5-6H2,1-2H3/b4-3-/t7-,8+,9+,10+/m0/s1
InChIKeyUIRLQTKDEMKKKG-VWQJUTLFSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.03
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane with MolForge

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Related Compounds

(1R,2S,4S,5R)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane
CID 14193705
(1R,2R,4S,5S)-1-(bromomethyl)-2,4-dichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane
CID 11969767
(2S,4R,5R)-2-bromo-1-(bromomethyl)-1,4-dichloro-5-[(E)-2-chloroethenyl]-5-methylcyclohexane
CID 101219712
cis-(3R,4R)-4-chloro-3-[(E)-2-chloroethenyl]-3-methylcyclohexan-1-one
CID 134987345
(2S,3S,5R)-5-bromo-3-chloro-2-[(E)-2-chloroethenyl]-2,6,6-trimethyloxane
CID 163057023
4-bromo-3-chloro-6-(2-chloroethenyl)-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 73193676
trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol
CID 131071734
cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
CID 93341086
2-chloro-2-methylspiro[2.2]pentane
CID 14316137
(1R,3R,4R)-3,4-dichloro-1,4-dimethylcyclohexane-1-carboxylic acid
CID 12734798
(1S,4S)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46855987
(1S,3S,4S,6R)-4-chloro-3-methylbicyclo[4.1.0]heptan-3-ol
CID 23268670

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane?
The IUPAC name of (1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane (CID 98545915) is (1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane.
What is the SMILES notation for (1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane?
The canonical SMILES for (1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane is C[C@@]1(Cl)C[C@@](C)(/C=C\Cl)[C@@H](Cl)C[C@H]1Cl.
What is the InChIKey of (1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane?
The InChIKey is UIRLQTKDEMKKKG-VWQJUTLFSA-N. The full InChI is InChI=1S/C10H14Cl4/c1-9(3-4-11)6-10(2,14)8(13)5-7(9)12/h3-4,7-8H,5-6H2,1-2H3/b4-3-/t7-,8+,9+,10+/m0/s1.
What are the key properties of (1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane?
(1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane has a molecular weight of 276.03 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-1,2,4-trichloro-5-[(Z)-2-chloroethenyl]-1,5-dimethylcyclohexane is sourced from PubChem (CID 98545915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).