3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane

C11H23ClO2 — CID 19985376

IUPAC3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane
SMILESCOCC(C(C)C)(C(C)C)C(Cl)OC
InChIInChI=1S/C11H23ClO2/c1-8(2)11(7-13-5,9(3)4)10(12)14-6/h8-10H,7H2,1-6H3
InChIKeyWJFMYGNOSHBEBW-UHFFFAOYSA-N
MW222.76 g/mol
LogP3.14
Rot. Bonds6

About 3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane

3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane (PubChem CID 19985376) has the molecular formula C11H23ClO2 and a molecular weight of 222.76 g/mol. Its IUPAC name is 3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane.

Molecular Properties

Compound Name3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane
PubChem CID19985376
Molecular FormulaC11H23ClO2
Molecular Weight222.76 g/mol
Exact Mass222.14
IUPAC Name3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane
SMILESCOCC(C(C)C)(C(C)C)C(Cl)OC
InChIInChI=1S/C11H23ClO2/c1-8(2)11(7-13-5,9(3)4)10(12)14-6/h8-10H,7H2,1-6H3
InChIKeyWJFMYGNOSHBEBW-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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 3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane?
The IUPAC name of 3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane (CID 19985376) is 3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane.
What is the SMILES notation for 3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane?
The canonical SMILES for 3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane is COCC(C(C)C)(C(C)C)C(Cl)OC.
What is the InChIKey of 3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane?
The InChIKey is WJFMYGNOSHBEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO2/c1-8(2)11(7-13-5,9(3)4)10(12)14-6/h8-10H,7H2,1-6H3.
What are the key properties of 3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane?
3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane has a molecular weight of 222.76 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(methoxy)methyl]-3-(methoxymethyl)-2,4-dimethylpentane is sourced from PubChem (CID 19985376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).