(4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene

C10H17Cl — CID 11367266

IUPAC(4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene
SMILESCC1=CC[C@H](C(C)(C)Cl)CC1
InChIInChI=1S/C10H17Cl/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9H,5-7H2,1-3H3/t9-/m0/s1
InChIKeyJDMWYZSPJDXSOB-VIFPVBQESA-N
MW172.70 g/mol
LogP3.75
Rot. Bonds1

About (4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene

(4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene (PubChem CID 11367266) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is (4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene.

Molecular Properties

Compound Name(4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene
PubChem CID11367266
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name(4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene
SMILESCC1=CC[C@H](C(C)(C)Cl)CC1
InChIInChI=1S/C10H17Cl/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9H,5-7H2,1-3H3/t9-/m0/s1
InChIKeyJDMWYZSPJDXSOB-VIFPVBQESA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.75
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)-4-(2-chloropropan-2-yl)-1-methylcyclohexene?
The IUPAC name of (4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene (CID 11367266) is (4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene.
What is the SMILES notation for (4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene?
The canonical SMILES for (4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene is CC1=CC[C@H](C(C)(C)Cl)CC1.
What is the InChIKey of (4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene?
The InChIKey is JDMWYZSPJDXSOB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17Cl/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9H,5-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene?
(4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene has a molecular weight of 172.70 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-chloropropan-2-yl)-1-methylcyclohexene is sourced from PubChem (CID 11367266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).