(1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane

C10H16Br4 — CID 124934803

IUPAC(1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane
SMILESC[C@](Br)(CBr)[C@H]1CC[C@](C)(Br)[C@H](Br)C1
InChIInChI=1S/C10H16Br4/c1-9(13)4-3-7(5-8(9)12)10(2,14)6-11/h7-8H,3-6H2,1-2H3/t7-,8+,9-,10-/m0/s1
InChIKeyBQAKZPPEUZUAJR-JXUBOQSCSA-N
MW455.85 g/mol
LogP5.25
Rot. Bonds2

About (1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane

(1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane (PubChem CID 124934803) has the molecular formula C10H16Br4 and a molecular weight of 455.85 g/mol. Its IUPAC name is (1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane
PubChem CID124934803
Molecular FormulaC10H16Br4
Molecular Weight455.85 g/mol
Exact Mass451.80
IUPAC Name(1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane
SMILESC[C@](Br)(CBr)[C@H]1CC[C@](C)(Br)[C@H](Br)C1
InChIInChI=1S/C10H16Br4/c1-9(13)4-3-7(5-8(9)12)10(2,14)6-11/h7-8H,3-6H2,1-2H3/t7-,8+,9-,10-/m0/s1
InChIKeyBQAKZPPEUZUAJR-JXUBOQSCSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.85
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4S)-1,2-dibromo-4-[(2S)-1,2-dibromopropan-2-yl]-1-methylcyclohexane
CID 124934804
1,2-dibromo-1-methyl-4-(1,1,2-tribromopropan-2-yl)cyclohexane
CID 102242408
(1S,2R,4S)-1,2-dibromo-1-(bromomethyl)-4-tert-butylcyclohexane
CID 101064308
N-[2-(3,4-dibromo-4-methylcyclohexyl)propan-2-yl]benzamide
CID 570927
1,2,4-tribromo-4-(2-bromopropan-2-yl)-1-methylcyclohexane
CID 86208820
1,2-dibromo-1-methylcyclooctane
CID 18443823
(E,6R)-6-[(1R,3R,4R)-4-bromo-3-chloro-4-methylcyclohexyl]-2-methylhept-3-ene-2,6-diol
CID 162877139
(5S)-5-[(2R)-1,2-dibromopropan-2-yl]-2-methylcyclohex-2-en-1-one
CID 171803239
(1-bromo-2-methylpropan-2-yl)cyclopropane
CID 83149923
(1R,2S,4R)-1,2-dibromo-1-(bromomethyl)-4-methylcyclohexane
CID 101064314
cis-(2S,5S)-5-(2-chloropropan-2-yl)-2-fluoro-2-methylcyclohexan-1-one
CID 101139578
3,4-dibromo-3,7,7-trimethylbicyclo[4.1.0]heptane
CID 13148708

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane?
The IUPAC name of (1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane (CID 124934803) is (1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane.
What is the SMILES notation for (1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane?
The canonical SMILES for (1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane is C[C@](Br)(CBr)[C@H]1CC[C@](C)(Br)[C@H](Br)C1.
What is the InChIKey of (1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane?
The InChIKey is BQAKZPPEUZUAJR-JXUBOQSCSA-N. The full InChI is InChI=1S/C10H16Br4/c1-9(13)4-3-7(5-8(9)12)10(2,14)6-11/h7-8H,3-6H2,1-2H3/t7-,8+,9-,10-/m0/s1.
What are the key properties of (1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane?
(1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane has a molecular weight of 455.85 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-1,2-dibromo-4-[(2R)-1,2-dibromopropan-2-yl]-1-methylcyclohexane is sourced from PubChem (CID 124934803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).