14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one

C18H14O2 — CID 91106274

IUPAC14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one
SMILESO=C1CC2=C(COC=C2)C2C=CC=c3ccccc3=C12
InChIInChI=1S/C18H14O2/c19-17-10-13-8-9-20-11-16(13)15-7-3-5-12-4-1-2-6-14(12)18(15)17/h1-9,15H,10-11H2
InChIKeyXUBYBORVNVJLJD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.62
Rot. Bonds

About 14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one

14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one (PubChem CID 91106274) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one.

Molecular Properties

Compound Name14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one
PubChem CID91106274
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one
SMILESO=C1CC2=C(COC=C2)C2C=CC=c3ccccc3=C12
InChIInChI=1S/C18H14O2/c19-17-10-13-8-9-20-11-16(13)15-7-3-5-12-4-1-2-6-14(12)18(15)17/h1-9,15H,10-11H2
InChIKeyXUBYBORVNVJLJD-UHFFFAOYSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one with MolForge

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Related Compounds

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hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one
CID 139089631
(5R,8S)-4-methoxy-3,8-dimethyl-5-[(2S)-pent-4-en-2-yl]-5,6,7,8-tetrahydronaphthalene-1,2-dione
CID 11989825
3-(2,4-Dimethyl-6-oxocyclohexen-1-yl)-7,8-dihydroisochromen-6-one
CID 58491585
(5R,8S)-4-methoxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalene-1,2-dione
CID 68424034
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CID 68425481
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CID 70271675
2,10a-dihydro-1H-benzo[c][1]benzoxepin-11-one
CID 70436435
(1R)-1,6-dimethyl-1,2,5a,9a-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione
CID 70834930
4,13-Dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,5,7,9,14,16-heptaen-19-one
CID 90789702
(4aR)-4,4,5-trimethyl-3-[(3Z)-penta-1,3-dien-2-yl]oxy-2-prop-2-enyl-4a,8a-dihydronaphthalen-1-one
CID 118984009

Frequently Asked Questions

What is the IUPAC name of 14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one?
The IUPAC name of 14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one (CID 91106274) is 14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one.
What is the SMILES notation for 14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one?
The canonical SMILES for 14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one is O=C1CC2=C(COC=C2)C2C=CC=c3ccccc3=C12.
What is the InChIKey of 14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one?
The InChIKey is XUBYBORVNVJLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-17-10-13-8-9-20-11-16(13)15-7-3-5-12-4-1-2-6-14(12)18(15)17/h1-9,15H,10-11H2.
What are the key properties of 14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one?
14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one has a molecular weight of 262.31 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1,3,5,7,9,12(17),15-heptaen-19-one is sourced from PubChem (CID 91106274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).