6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one

C17H24O2 — CID 140617705

IUPAC6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one
SMILESO=C1CCC2C(CCC3C4CC=CC4CCC23)CO1
InChIInChI=1S/C17H24O2/c18-17-9-8-14-12(10-19-17)5-7-15-13-3-1-2-11(13)4-6-16(14)15/h1-2,11-16H,3-10H2
InChIKeyWUUQXNCMBMZLSI-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.57
Rot. Bonds

About 6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one

6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one (PubChem CID 140617705) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one.

Molecular Properties

Compound Name6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one
PubChem CID140617705
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one
SMILESO=C1CCC2C(CCC3C4CC=CC4CCC23)CO1
InChIInChI=1S/C17H24O2/c18-17-9-8-14-12(10-19-17)5-7-15-13-3-1-2-11(13)4-6-16(14)15/h1-2,11-16H,3-10H2
InChIKeyWUUQXNCMBMZLSI-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oblongolide
CID 176630
Oblongolide G
CID 11637688
[(1R,4S,5S,9S,10S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl decanoate
CID 122180699
[(1R,4S,5S,9S,10S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl dodecanoate
CID 122180700
[(1R,4S,5S,9S,10S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl tetradecanoate
CID 122180701
[(1R,4S,5S,9S,10S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl hexadecanoate
CID 122180702
[(1R,4S,5S,9S,10S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl octadecanoate
CID 122180703
[(1R,4S,5S,9S,10S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl icosanoate
CID 122180704
butyl (1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
CID 162645570
octyl (1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
CID 162671689
Mansumbinoic acid
CID 128211
Methyl 5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylate
CID 14262527

Frequently Asked Questions

What is the IUPAC name of 6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one?
The IUPAC name of 6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one (CID 140617705) is 6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one.
What is the SMILES notation for 6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one?
The canonical SMILES for 6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one is O=C1CCC2C(CCC3C4CC=CC4CCC23)CO1.
What is the InChIKey of 6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one?
The InChIKey is WUUQXNCMBMZLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c18-17-9-8-14-12(10-19-17)5-7-15-13-3-1-2-11(13)4-6-16(14)15/h1-2,11-16H,3-10H2.
What are the key properties of 6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one?
6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one has a molecular weight of 260.38 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one is sourced from PubChem (CID 140617705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).