(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane

C11H21ClO2 — CID 19985384

IUPAC(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane
SMILESCOCC(Cl)(COC)C1CCCCC1
InChIInChI=1S/C11H21ClO2/c1-13-8-11(12,9-14-2)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyYRNAXGKPGUGTAJ-UHFFFAOYSA-N
MW220.74 g/mol
LogP2.84
Rot. Bonds5

About (2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane

(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane (PubChem CID 19985384) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is (2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane.

Molecular Properties

Compound Name(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane
PubChem CID19985384
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane
SMILESCOCC(Cl)(COC)C1CCCCC1
InChIInChI=1S/C11H21ClO2/c1-13-8-11(12,9-14-2)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyYRNAXGKPGUGTAJ-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 52.84
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 (2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane?
The IUPAC name of (2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane (CID 19985384) is (2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane.
What is the SMILES notation for (2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane?
The canonical SMILES for (2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane is COCC(Cl)(COC)C1CCCCC1.
What is the InChIKey of (2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane?
The InChIKey is YRNAXGKPGUGTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2/c1-13-8-11(12,9-14-2)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of (2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane?
(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane has a molecular weight of 220.74 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane is sourced from PubChem (CID 19985384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).