6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one

C11H14O2 — CID 154506458

IUPAC6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one
SMILESO=C1OC2CC3CC4CC1CC32C4
InChIInChI=1S/C11H14O2/c12-10-7-1-6-2-8-3-9(13-10)11(8,4-6)5-7/h6-9H,1-5H2
InChIKeyLNOJCNOBNHMFOM-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.74
Rot. Bonds

About 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one

6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one (PubChem CID 154506458) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one.

Molecular Properties

Compound Name6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one
PubChem CID154506458
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one
SMILESO=C1OC2CC3CC4CC1CC32C4
InChIInChI=1S/C11H14O2/c12-10-7-1-6-2-8-3-9(13-10)11(8,4-6)5-7/h6-9H,1-5H2
InChIKeyLNOJCNOBNHMFOM-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one?
The IUPAC name of 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one (CID 154506458) is 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one.
What is the SMILES notation for 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one?
The canonical SMILES for 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one is O=C1OC2CC3CC4CC1CC32C4.
What is the InChIKey of 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one?
The InChIKey is LNOJCNOBNHMFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-7-1-6-2-8-3-9(13-10)11(8,4-6)5-7/h6-9H,1-5H2.
What are the key properties of 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one?
6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one has a molecular weight of 178.23 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxatetracyclo[6.3.1.03,10.05,10]dodecan-7-one is sourced from PubChem (CID 154506458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).