1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane

C11H20Cl2O2 — CID 19985374

IUPAC1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane
SMILESCOCC(Cl)(COC)C1CCC(Cl)CC1
InChIInChI=1S/C11H20Cl2O2/c1-14-7-11(13,8-15-2)9-3-5-10(12)6-4-9/h9-10H,3-8H2,1-2H3
InChIKeyBYVFFSDRJHHMNT-UHFFFAOYSA-N
MW255.18 g/mol
LogP3.05
Rot. Bonds5

About 1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane

1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane (PubChem CID 19985374) has the molecular formula C11H20Cl2O2 and a molecular weight of 255.18 g/mol. Its IUPAC name is 1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane
PubChem CID19985374
Molecular FormulaC11H20Cl2O2
Molecular Weight255.18 g/mol
Exact Mass254.08
IUPAC Name1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane
SMILESCOCC(Cl)(COC)C1CCC(Cl)CC1
InChIInChI=1S/C11H20Cl2O2/c1-14-7-11(13,8-15-2)9-3-5-10(12)6-4-9/h9-10H,3-8H2,1-2H3
InChIKeyBYVFFSDRJHHMNT-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 53.05
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 1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane?
The IUPAC name of 1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane (CID 19985374) is 1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane.
What is the SMILES notation for 1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane?
The canonical SMILES for 1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane is COCC(Cl)(COC)C1CCC(Cl)CC1.
What is the InChIKey of 1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane?
The InChIKey is BYVFFSDRJHHMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Cl2O2/c1-14-7-11(13,8-15-2)9-3-5-10(12)6-4-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane?
1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane has a molecular weight of 255.18 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane is sourced from PubChem (CID 19985374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).