4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane

C11H21ClO — CID 142630335

IUPAC4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane
SMILESCOCC1CC(Cl)CCC1C(C)C
InChIInChI=1S/C11H21ClO/c1-8(2)11-5-4-10(12)6-9(11)7-13-3/h8-11H,4-7H2,1-3H3
InChIKeyMZYLSMLTQSIOGI-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane

4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane (PubChem CID 142630335) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane
PubChem CID142630335
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane
SMILESCOCC1CC(Cl)CCC1C(C)C
InChIInChI=1S/C11H21ClO/c1-8(2)11-5-4-10(12)6-9(11)7-13-3/h8-11H,4-7H2,1-3H3
InChIKeyMZYLSMLTQSIOGI-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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 4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane?
The IUPAC name of 4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane (CID 142630335) is 4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane is COCC1CC(Cl)CCC1C(C)C.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane?
The InChIKey is MZYLSMLTQSIOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-8(2)11-5-4-10(12)6-9(11)7-13-3/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane?
4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane has a molecular weight of 204.74 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-1-propan-2-ylcyclohexane is sourced from PubChem (CID 142630335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).