2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one

C11H15ClO3 — CID 89393682

IUPAC2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one
SMILESO=C1OC2CC3CC1CC(C3)C2OCCl
InChIInChI=1S/C11H15ClO3/c12-5-14-10-7-1-6-2-8(4-7)11(13)15-9(10)3-6/h6-10H,1-5H2
InChIKeyBIQZXCHMVWEBOE-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.93
Rot. Bonds2

About 2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one

2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one (PubChem CID 89393682) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one.

Molecular Properties

Compound Name2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one
PubChem CID89393682
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one
SMILESO=C1OC2CC3CC1CC(C3)C2OCCl
InChIInChI=1S/C11H15ClO3/c12-5-14-10-7-1-6-2-8(4-7)11(13)15-9(10)3-6/h6-10H,1-5H2
InChIKeyBIQZXCHMVWEBOE-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one?
The IUPAC name of 2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one (CID 89393682) is 2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one.
What is the SMILES notation for 2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one?
The canonical SMILES for 2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one is O=C1OC2CC3CC1CC(C3)C2OCCl.
What is the InChIKey of 2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one?
The InChIKey is BIQZXCHMVWEBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c12-5-14-10-7-1-6-2-8(4-7)11(13)15-9(10)3-6/h6-10H,1-5H2.
What are the key properties of 2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one?
2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one has a molecular weight of 230.69 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one is sourced from PubChem (CID 89393682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).