14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene

C17H20O — CID 56694868

IUPAC14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene
SMILESCC1C=CCC23CCc4ccccc4C12COC3
InChIInChI=1S/C17H20O/c1-13-5-4-9-16-10-8-14-6-2-3-7-15(14)17(13,16)12-18-11-16/h2-7,13H,8-12H2,1H3
InChIKeyXVTDUMANZNBCJR-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.48
Rot. Bonds

About 14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene

14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene (PubChem CID 56694868) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene.

Molecular Properties

Compound Name14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene
PubChem CID56694868
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene
SMILESCC1C=CCC23CCc4ccccc4C12COC3
InChIInChI=1S/C17H20O/c1-13-5-4-9-16-10-8-14-6-2-3-7-15(14)17(13,16)12-18-11-16/h2-7,13H,8-12H2,1H3
InChIKeyXVTDUMANZNBCJR-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,10R,11R,14S)-11,14-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene-15,17-dione
CID 125035077
CID 100922608
CID 100922608
(1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde
CID 102391535
(3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione
CID 129374458
spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 123687681
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol
CID 71263398
3-methyl-3-propyl-1,2-dihydroindene
CID 145156021
ethane;methanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339109
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
spiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618292
1-[3-(aminomethyl)oxan-3-yl]-2,3-dihydroinden-1-ol
CID 103715911

Frequently Asked Questions

What is the IUPAC name of 14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene?
The IUPAC name of 14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene (CID 56694868) is 14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene.
What is the SMILES notation for 14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene?
The canonical SMILES for 14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene is CC1C=CCC23CCc4ccccc4C12COC3.
What is the InChIKey of 14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene?
The InChIKey is XVTDUMANZNBCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-13-5-4-9-16-10-8-14-6-2-3-7-15(14)17(13,16)12-18-11-16/h2-7,13H,8-12H2,1H3.
What are the key properties of 14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene?
14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene has a molecular weight of 240.35 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene is sourced from PubChem (CID 56694868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).