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

C10H14Br2Cl2 — CID 162844563

IUPAC(4R,6S)-6-bromo-1-[(1S)-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-/m1/s1
InChIKeyKLDHSFADDPCRTJ-IWSPIJDZSA-N
MW364.94 g/mol
LogP4.72
Rot. Bonds2

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

(4R,6S)-6-bromo-1-[(1S)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene (PubChem CID 162844563) has the molecular formula C10H14Br2Cl2 and a molecular weight of 364.94 g/mol. Its IUPAC name is (4R,6S)-6-bromo-1-[(1S)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene.

Molecular Properties

Compound Name(4R,6S)-6-bromo-1-[(1S)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene
PubChem CID162844563
Molecular FormulaC10H14Br2Cl2
Molecular Weight364.94 g/mol
Exact Mass361.88
IUPAC Name(4R,6S)-6-bromo-1-[(1S)-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-/m1/s1
InChIKeyKLDHSFADDPCRTJ-IWSPIJDZSA-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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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-bromo-1-[(1S)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene?
The IUPAC name of (4R,6S)-6-bromo-1-[(1S)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene (CID 162844563) is (4R,6S)-6-bromo-1-[(1S)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene.
What is the SMILES notation for (4R,6S)-6-bromo-1-[(1S)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene?
The canonical SMILES for (4R,6S)-6-bromo-1-[(1S)-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 (4R,6S)-6-bromo-1-[(1S)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene?
The InChIKey is KLDHSFADDPCRTJ-IWSPIJDZSA-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-/m1/s1.
What are the key properties of (4R,6S)-6-bromo-1-[(1S)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene?
(4R,6S)-6-bromo-1-[(1S)-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 (4R,6S)-6-bromo-1-[(1S)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene is sourced from PubChem (CID 162844563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).