8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one

C12H16O2 — CID 175795702

IUPAC8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one
SMILESO=C1CCCC23CC4CC(OC4C2)C13
InChIInChI=1S/C12H16O2/c13-8-2-1-3-12-5-7-4-9(11(8)12)14-10(7)6-12/h7,9-11H,1-6H2
InChIKeySBSNTVHEEAXTPU-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.92
Rot. Bonds

About 8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one

8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one (PubChem CID 175795702) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one.

Molecular Properties

Compound Name8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one
PubChem CID175795702
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one
SMILESO=C1CCCC23CC4CC(OC4C2)C13
InChIInChI=1S/C12H16O2/c13-8-2-1-3-12-5-7-4-9(11(8)12)14-10(7)6-12/h7,9-11H,1-6H2
InChIKeySBSNTVHEEAXTPU-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one?
The IUPAC name of 8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one (CID 175795702) is 8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one.
What is the SMILES notation for 8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one?
The canonical SMILES for 8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one is O=C1CCCC23CC4CC(OC4C2)C13.
What is the InChIKey of 8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one?
The InChIKey is SBSNTVHEEAXTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-8-2-1-3-12-5-7-4-9(11(8)12)14-10(7)6-12/h7,9-11H,1-6H2.
What are the key properties of 8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one?
8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one has a molecular weight of 192.26 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-one is sourced from PubChem (CID 175795702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).