3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one

C17H24O2 — CID 140617704

IUPAC3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
SMILESO=C1CCOC2C(CCC3C4CC=CC4CCC32)C1
InChIInChI=1S/C17H24O2/c18-13-8-9-19-17-12(10-13)5-6-15-14-3-1-2-11(14)4-7-16(15)17/h1-2,11-12,14-17H,3-10H2
InChIKeyBPZCLXWWBLOUBN-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.36
Rot. Bonds

About 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one

3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one (PubChem CID 140617704) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one.

Molecular Properties

Compound Name3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
PubChem CID140617704
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
SMILESO=C1CCOC2C(CCC3C4CC=CC4CCC32)C1
InChIInChI=1S/C17H24O2/c18-13-8-9-19-17-12(10-13)5-6-15-14-3-1-2-11(14)4-7-16(15)17/h1-2,11-12,14-17H,3-10H2
InChIKeyBPZCLXWWBLOUBN-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one with MolForge

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

Launch Full Analysis

Related Compounds

1,2,3,7,8,8a-Hexahydro-8-methylene-2-(1-methylethyl)-4H-1,4a-(epoxymethano)naphthalen-4-one
CID 155282
(1R,3aS,3bR,9aR,9bR,11aR)-1-acetyl-11a-methyl-1,2,3a,3b,4,5,8,9,9a,9b,10,11-dodecahydronaphtho[1,2-g][1]benzofuran-7-one
CID 22789145
3-Oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one
CID 140617703
6-Oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one
CID 140617705
4,4a,6,6a,7,8,9,10,10a,11a-decahydro-3H-benzo[c][1]benzoxepin-11-one
CID 163532269
(1S,2S,6S,7R,14R)-2,7,14-trimethyl-10-oxatricyclo[5.4.3.01,6]tetradec-3-en-12-one
CID 11736778
6-Oxatricyclo[5.4.0.04,8]undec-10-en-2-one
CID 12779206
(1S,6S,7R,8S)-5-methylidene-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodec-2-en-10-one
CID 12814296
(1R,6S,7S,8S)-5-methylidene-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodec-2-en-10-one
CID 12814298
(1S,2S,6S,7S,14R)-2,7,14-trimethyl-10-oxatricyclo[5.4.3.01,6]tetradec-3-en-12-one
CID 23281184
(1S,2S,7S,9R,10R,13S)-15-oxatetracyclo[7.4.1.110,13.02,7]pentadec-11-en-14-one
CID 177410419
(1R,5S,6S,7Z,10S,13R,15S)-6-propan-2-yl-14-oxatetracyclo[8.5.0.05,15.013,15]pentadec-7-en-2-one
CID 177536015

Frequently Asked Questions

What is the IUPAC name of 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one?
The IUPAC name of 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one (CID 140617704) is 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one.
What is the SMILES notation for 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one?
The canonical SMILES for 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one is O=C1CCOC2C(CCC3C4CC=CC4CCC32)C1.
What is the InChIKey of 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one?
The InChIKey is BPZCLXWWBLOUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c18-13-8-9-19-17-12(10-13)5-6-15-14-3-1-2-11(14)4-7-16(15)17/h1-2,11-12,14-17H,3-10H2.
What are the key properties of 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one?
3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one has a molecular weight of 260.38 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one is sourced from PubChem (CID 140617704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).