(2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane

C11H23ClO2 — CID 121474157

IUPAC(2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane
SMILESCO[C@@H](CCl)C(C)(C)CC(C)(C)OC
InChIInChI=1S/C11H23ClO2/c1-10(2,9(7-12)13-5)8-11(3,4)14-6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyVWKGKTMEHIHHQH-VIFPVBQESA-N
MW222.76 g/mol
LogP3.08
Rot. Bonds6

About (2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane

(2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane (PubChem CID 121474157) has the molecular formula C11H23ClO2 and a molecular weight of 222.76 g/mol. Its IUPAC name is (2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane.

Molecular Properties

Compound Name(2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane
PubChem CID121474157
Molecular FormulaC11H23ClO2
Molecular Weight222.76 g/mol
Exact Mass222.14
IUPAC Name(2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane
SMILESCO[C@@H](CCl)C(C)(C)CC(C)(C)OC
InChIInChI=1S/C11H23ClO2/c1-10(2,9(7-12)13-5)8-11(3,4)14-6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyVWKGKTMEHIHHQH-VIFPVBQESA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane?
The IUPAC name of (2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane (CID 121474157) is (2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane.
What is the SMILES notation for (2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane?
The canonical SMILES for (2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane is CO[C@@H](CCl)C(C)(C)CC(C)(C)OC.
What is the InChIKey of (2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane?
The InChIKey is VWKGKTMEHIHHQH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23ClO2/c1-10(2,9(7-12)13-5)8-11(3,4)14-6/h9H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of (2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane?
(2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane has a molecular weight of 222.76 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-2,5-dimethoxy-3,3,5-trimethylhexane is sourced from PubChem (CID 121474157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).