2-(chloromethyl)prop-2-enoxymethylcyclohexane

C11H19ClO — CID 103066113

IUPAC2-(chloromethyl)prop-2-enoxymethylcyclohexane
SMILESC=C(CCl)COCC1CCCCC1
InChIInChI=1S/C11H19ClO/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h11H,1-9H2
InChIKeyVKOPHBZXJAYPKY-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.38
Rot. Bonds5

About 2-(chloromethyl)prop-2-enoxymethylcyclohexane

2-(chloromethyl)prop-2-enoxymethylcyclohexane (PubChem CID 103066113) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 2-(chloromethyl)prop-2-enoxymethylcyclohexane.

Molecular Properties

Compound Name2-(chloromethyl)prop-2-enoxymethylcyclohexane
PubChem CID103066113
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name2-(chloromethyl)prop-2-enoxymethylcyclohexane
SMILESC=C(CCl)COCC1CCCCC1
InChIInChI=1S/C11H19ClO/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h11H,1-9H2
InChIKeyVKOPHBZXJAYPKY-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)prop-2-enoxymethylcyclohexane?
The IUPAC name of 2-(chloromethyl)prop-2-enoxymethylcyclohexane (CID 103066113) is 2-(chloromethyl)prop-2-enoxymethylcyclohexane.
What is the SMILES notation for 2-(chloromethyl)prop-2-enoxymethylcyclohexane?
The canonical SMILES for 2-(chloromethyl)prop-2-enoxymethylcyclohexane is C=C(CCl)COCC1CCCCC1.
What is the InChIKey of 2-(chloromethyl)prop-2-enoxymethylcyclohexane?
The InChIKey is VKOPHBZXJAYPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h11H,1-9H2.
What are the key properties of 2-(chloromethyl)prop-2-enoxymethylcyclohexane?
2-(chloromethyl)prop-2-enoxymethylcyclohexane has a molecular weight of 202.72 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)prop-2-enoxymethylcyclohexane is sourced from PubChem (CID 103066113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).