(4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene

C11H17Cl — CID 89332589

IUPAC(4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene
SMILESCC1CC(C2=CC[C@H](Cl)CC2)C1
InChIInChI=1S/C11H17Cl/c1-8-6-10(7-8)9-2-4-11(12)5-3-9/h2,8,10-11H,3-7H2,1H3/t8?,10?,11-/m0/s1
InChIKeyZORPGNJYECJNSO-RFBVYIQQSA-N
MW184.71 g/mol
LogP3.75
Rot. Bonds1

About (4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene

(4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene (PubChem CID 89332589) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is (4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene.

Molecular Properties

Compound Name(4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene
PubChem CID89332589
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name(4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene
SMILESCC1CC(C2=CC[C@H](Cl)CC2)C1
InChIInChI=1S/C11H17Cl/c1-8-6-10(7-8)9-2-4-11(12)5-3-9/h2,8,10-11H,3-7H2,1H3/t8?,10?,11-/m0/s1
InChIKeyZORPGNJYECJNSO-RFBVYIQQSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
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-chloro-1-(3-methylcyclobutyl)cyclohexene?
The IUPAC name of (4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene (CID 89332589) is (4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene.
What is the SMILES notation for (4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene?
The canonical SMILES for (4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene is CC1CC(C2=CC[C@H](Cl)CC2)C1.
What is the InChIKey of (4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene?
The InChIKey is ZORPGNJYECJNSO-RFBVYIQQSA-N. The full InChI is InChI=1S/C11H17Cl/c1-8-6-10(7-8)9-2-4-11(12)5-3-9/h2,8,10-11H,3-7H2,1H3/t8?,10?,11-/m0/s1.
What are the key properties of (4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene?
(4R)-4-chloro-1-(3-methylcyclobutyl)cyclohexene has a molecular weight of 184.71 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-chloro-1-(3-methylcyclobutyl)cyclohexene is sourced from PubChem (CID 89332589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).