(4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene

C10H14Cl2 — CID 131844494

IUPAC(4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene
SMILESC=C1C=C[C@H](C(C)(C)Cl)C[C@H]1Cl
InChIInChI=1S/C10H14Cl2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-5,8-9H,1,6H2,2-3H3/t8-,9+/m0/s1
InChIKeyASIQASHPLUVGAM-DTWKUNHWSA-N
MW205.13 g/mol
LogP3.74
Rot. Bonds1

About (4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene

(4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene (PubChem CID 131844494) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is (4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene.

Molecular Properties

Compound Name(4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene
PubChem CID131844494
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name(4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene
SMILESC=C1C=C[C@H](C(C)(C)Cl)C[C@H]1Cl
InChIInChI=1S/C10H14Cl2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-5,8-9H,1,6H2,2-3H3/t8-,9+/m0/s1
InChIKeyASIQASHPLUVGAM-DTWKUNHWSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 53.74
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

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(1R,6R)-7,7-dimethyl-2-methylidenebicyclo[4.1.1]oct-3-ene
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(4R)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene
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(4-methylidenecyclobut-2-en-1-yl)methanamine
CID 163953951
3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine
CID 165372118
1-(4-tert-butylcyclohexa-1,5-dien-1-yl)ethanone
CID 10856047
2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
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N-tert-butyl-6-chlorocyclohexa-2,4-dien-1-imine
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CID 143068947

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene?
The IUPAC name of (4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene (CID 131844494) is (4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene.
What is the SMILES notation for (4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene?
The canonical SMILES for (4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene is C=C1C=C[C@H](C(C)(C)Cl)C[C@H]1Cl.
What is the InChIKey of (4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene?
The InChIKey is ASIQASHPLUVGAM-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H14Cl2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-5,8-9H,1,6H2,2-3H3/t8-,9+/m0/s1.
What are the key properties of (4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene?
(4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene has a molecular weight of 205.13 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-chloro-6-(2-chloropropan-2-yl)-3-methylidenecyclohexene is sourced from PubChem (CID 131844494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).