1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane

C11H21ClO — CID 89304186

IUPAC1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane
SMILESCC(C)OC(Cl)C1(C)CCCCC1
InChIInChI=1S/C11H21ClO/c1-9(2)13-10(12)11(3)7-5-4-6-8-11/h9-10H,4-8H2,1-3H3
InChIKeyCGFYKFAXHHDMQK-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.95
Rot. Bonds3

About 1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane

1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane (PubChem CID 89304186) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane.

Molecular Properties

Compound Name1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane
PubChem CID89304186
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane
SMILESCC(C)OC(Cl)C1(C)CCCCC1
InChIInChI=1S/C11H21ClO/c1-9(2)13-10(12)11(3)7-5-4-6-8-11/h9-10H,4-8H2,1-3H3
InChIKeyCGFYKFAXHHDMQK-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(propan-2-yloxy)methyl]-1-methylcyclohexane?
The IUPAC name of 1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane (CID 89304186) is 1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane.
What is the SMILES notation for 1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane?
The canonical SMILES for 1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane is CC(C)OC(Cl)C1(C)CCCCC1.
What is the InChIKey of 1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane?
The InChIKey is CGFYKFAXHHDMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-9(2)13-10(12)11(3)7-5-4-6-8-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane?
1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane has a molecular weight of 204.74 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane is sourced from PubChem (CID 89304186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).