10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene

C18H20O — CID 91575394

IUPAC10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene
SMILESCc1ccc2c3c1OC1C=CCC4C(CCCC314)C2
InChIInChI=1S/C18H20O/c1-11-7-8-13-10-12-4-3-9-18-14(12)5-2-6-15(18)19-17(11)16(13)18/h2,6-8,12,14-15H,3-5,9-10H2,1H3
InChIKeyRCDOANQDUYIFJI-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.93
Rot. Bonds

About 10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene

10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene (PubChem CID 91575394) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene.

Molecular Properties

Compound Name10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene
PubChem CID91575394
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene
SMILESCc1ccc2c3c1OC1C=CCC4C(CCCC314)C2
InChIInChI=1S/C18H20O/c1-11-7-8-13-10-12-4-3-9-18-14(12)5-2-6-15(18)19-17(11)16(13)18/h2,6-8,12,14-15H,3-5,9-10H2,1H3
InChIKeyRCDOANQDUYIFJI-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene with MolForge

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Related Compounds

[(2R,3R,4S,5R,6S)-4,5-diformyloxy-2-methyl-6-[[(1S,5R,13R,14S)-10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-yl]oxy]oxan-3-yl] formate
CID 59057735
(5R,13R)-10-methoxy-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one
CID 134301591
(1S,5R)-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene
CID 154963064
(4S,7aR,12bR)-7,9-dimethyl-1,2,3,4,4a,5,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 58111495
[10-(2-acetyloxybenzoyl)oxy-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraen-14-yl] 2-acetyloxybenzoate
CID 146335587
(7'aS,12'bR)-9'-methylspiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline]
CID 118081120
(1S,5R,13S)-14-ethyl-10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14,16-pentaene
CID 170370348
(4S,4aR,12bR)-3,9-dimethyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 126501245
(1S,5R,13R)-10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,16-tetraen-14-one
CID 170370377
(4S,4aS)-3,9-dimethyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 146782733
(4R,4aR,7S,7aR,12bS)-3,9-dimethyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 66767008
[(1S,5R,13R,14S)-14-acetamido-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-10-yl] acetate
CID 130178188

Frequently Asked Questions

What is the IUPAC name of 10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene?
The IUPAC name of 10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene (CID 91575394) is 10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene.
What is the SMILES notation for 10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene?
The canonical SMILES for 10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene is Cc1ccc2c3c1OC1C=CCC4C(CCCC314)C2.
What is the InChIKey of 10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene?
The InChIKey is RCDOANQDUYIFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-11-7-8-13-10-12-4-3-9-18-14(12)5-2-6-15(18)19-17(11)16(13)18/h2,6-8,12,14-15H,3-5,9-10H2,1H3.
What are the key properties of 10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene?
10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene has a molecular weight of 252.36 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraene is sourced from PubChem (CID 91575394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).