(5-chloro-2,5-dimethylhexan-2-yl)cyclobutane

C12H23Cl — CID 163687066

IUPAC(5-chloro-2,5-dimethylhexan-2-yl)cyclobutane
SMILESCC(C)(Cl)CCC(C)(C)C1CCC1
InChIInChI=1S/C12H23Cl/c1-11(2,10-6-5-7-10)8-9-12(3,4)13/h10H,5-9H2,1-4H3
InChIKeyJPTNMEYIXHGOOY-UHFFFAOYSA-N
MW202.77 g/mol
LogP4.61
Rot. Bonds4

About (5-chloro-2,5-dimethylhexan-2-yl)cyclobutane

(5-chloro-2,5-dimethylhexan-2-yl)cyclobutane (PubChem CID 163687066) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is (5-chloro-2,5-dimethylhexan-2-yl)cyclobutane.

Molecular Properties

Compound Name(5-chloro-2,5-dimethylhexan-2-yl)cyclobutane
PubChem CID163687066
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name(5-chloro-2,5-dimethylhexan-2-yl)cyclobutane
SMILESCC(C)(Cl)CCC(C)(C)C1CCC1
InChIInChI=1S/C12H23Cl/c1-11(2,10-6-5-7-10)8-9-12(3,4)13/h10H,5-9H2,1-4H3
InChIKeyJPTNMEYIXHGOOY-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.77
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,5-dimethylhexan-2-yl)cyclobutane?
The IUPAC name of (5-chloro-2,5-dimethylhexan-2-yl)cyclobutane (CID 163687066) is (5-chloro-2,5-dimethylhexan-2-yl)cyclobutane.
What is the SMILES notation for (5-chloro-2,5-dimethylhexan-2-yl)cyclobutane?
The canonical SMILES for (5-chloro-2,5-dimethylhexan-2-yl)cyclobutane is CC(C)(Cl)CCC(C)(C)C1CCC1.
What is the InChIKey of (5-chloro-2,5-dimethylhexan-2-yl)cyclobutane?
The InChIKey is JPTNMEYIXHGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl/c1-11(2,10-6-5-7-10)8-9-12(3,4)13/h10H,5-9H2,1-4H3.
What are the key properties of (5-chloro-2,5-dimethylhexan-2-yl)cyclobutane?
(5-chloro-2,5-dimethylhexan-2-yl)cyclobutane has a molecular weight of 202.77 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,5-dimethylhexan-2-yl)cyclobutane is sourced from PubChem (CID 163687066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).