(4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene

C10H14Br2Cl2 — CID 162844562

IUPAC(4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene
SMILESCC1(C)[C@@H](Cl)CC=C([C@@H](Cl)CBr)[C@@H]1Br
InChIInChI=1S/C10H14Br2Cl2/c1-10(2)8(14)4-3-6(9(10)12)7(13)5-11/h3,7-9H,4-5H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyKLDHSFADDPCRTJ-CIUDSAMLSA-N
MW364.94 g/mol
LogP4.72
Rot. Bonds2

About (4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene

(4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene (PubChem CID 162844562) has the molecular formula C10H14Br2Cl2 and a molecular weight of 364.94 g/mol. Its IUPAC name is (4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene.

Molecular Properties

Compound Name(4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene
PubChem CID162844562
Molecular FormulaC10H14Br2Cl2
Molecular Weight364.94 g/mol
Exact Mass361.88
IUPAC Name(4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene
SMILESCC1(C)[C@@H](Cl)CC=C([C@@H](Cl)CBr)[C@@H]1Br
InChIInChI=1S/C10H14Br2Cl2/c1-10(2)8(14)4-3-6(9(10)12)7(13)5-11/h3,7-9H,4-5H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyKLDHSFADDPCRTJ-CIUDSAMLSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 54.72
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

(3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane
CID 5469804
(4S,6S)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohexene
CID 21603633
(E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 23427000
4-Bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohexene
CID 392488
(4S,5S)-1-(bromomethyl)-4-chloro-5-[(E)-2-chlorovinyl]-5-methyl-cyclohexene
CID 6475610
2,4-Dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene
CID 10476601
Ochtodene
CID 6455437
(4R,5S)-5-bromo-4-chloro-1-[(E)-2-chloroethenyl]-2,4-dimethylcyclohexene
CID 21631047
1,2-Dichloro-ochtod-3-ene
CID 21773315
1,7-Dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 74052094
(2R,3E,4R,6R)-6-bromo-3-(2-bromoethylidene)-2,4-dichloro-1,1-dimethylcyclohexane
CID 101981681
(4R)-2,4-dibromo-1-[(1S)-2-bromo-1-chloroethyl]-3,3-dimethylcyclohexene
CID 162859316

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene?
The IUPAC name of (4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene (CID 162844562) is (4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene.
What is the SMILES notation for (4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene?
The canonical SMILES for (4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene is CC1(C)[C@@H](Cl)CC=C([C@@H](Cl)CBr)[C@@H]1Br.
What is the InChIKey of (4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene?
The InChIKey is KLDHSFADDPCRTJ-CIUDSAMLSA-N. The full InChI is InChI=1S/C10H14Br2Cl2/c1-10(2)8(14)4-3-6(9(10)12)7(13)5-11/h3,7-9H,4-5H2,1-2H3/t7-,8-,9-/m0/s1.
What are the key properties of (4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene?
(4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene has a molecular weight of 364.94 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene is sourced from PubChem (CID 162844562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).