(4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene

C10H14Br3Cl — CID 22832614

IUPAC(4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene
SMILESCC1(C)C(Br)=C(C(Cl)CBr)CC[C@@H]1Br
InChIInChI=1S/C10H14Br3Cl/c1-10(2)8(12)4-3-6(9(10)13)7(14)5-11/h7-8H,3-5H2,1-2H3/t7?,8-/m0/s1
InChIKeyCYZCHHADPFRZIU-MQWKRIRWSA-N
MW409.39 g/mol
LogP5.22
Rot. Bonds2

About (4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene

(4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene (PubChem CID 22832614) has the molecular formula C10H14Br3Cl and a molecular weight of 409.39 g/mol. Its IUPAC name is (4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene.

Molecular Properties

Compound Name(4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene
PubChem CID22832614
Molecular FormulaC10H14Br3Cl
Molecular Weight409.39 g/mol
Exact Mass405.83
IUPAC Name(4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene
SMILESCC1(C)C(Br)=C(C(Cl)CBr)CC[C@@H]1Br
InChIInChI=1S/C10H14Br3Cl/c1-10(2)8(12)4-3-6(9(10)13)7(14)5-11/h7-8H,3-5H2,1-2H3/t7?,8-/m0/s1
InChIKeyCYZCHHADPFRZIU-MQWKRIRWSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene
CID 10476601
(4S,6R)-6-bromo-1-[(1R)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene
CID 162844562
(4R,6S)-6-bromo-1-[(1S)-2-bromo-1-chloroethyl]-4-chloro-5,5-dimethylcyclohexene
CID 162844563
(4R)-2,4-dibromo-1-[(1S)-2-bromo-1-chloroethyl]-3,3-dimethylcyclohexene
CID 162859316
(4S,6R)-6-bromo-1-(2-bromo-1-chloroethyl)-4-chloro-5,5-dimethylcyclohexene
CID 21631036
(4S,6S)-4-bromo-1-(2-bromo-1-chloroethyl)-6-chloro-5,5-dimethylcyclohexene
CID 163167907
(4R)-4-bromo-1-(2-bromo-1-chloroethyl)-6-chloro-5,5-dimethylcyclohexene
CID 163167908
6-Bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene
CID 379038
(Z)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene
CID 5468036
(E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene
CID 5468037
6-Bromo-1-(2-bromo-1-chloroethyl)-4-chloro-5,5-dimethylcyclohexene
CID 23424832
(6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene
CID 100988688

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene?
The IUPAC name of (4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene (CID 22832614) is (4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene.
What is the SMILES notation for (4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene?
The canonical SMILES for (4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene is CC1(C)C(Br)=C(C(Cl)CBr)CC[C@@H]1Br.
What is the InChIKey of (4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene?
The InChIKey is CYZCHHADPFRZIU-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H14Br3Cl/c1-10(2)8(12)4-3-6(9(10)13)7(14)5-11/h7-8H,3-5H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene?
(4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene has a molecular weight of 409.39 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dibromo-1-(2-bromo-1-chloroethyl)-3,3-dimethylcyclohexene is sourced from PubChem (CID 22832614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).