2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one

C20H26O2 — CID 162966421

IUPAC2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one
SMILESCC1=C2C=C3CCC4C5(C)CC5CCC4(C)C3CC2OC1=O
InChIInChI=1S/C20H26O2/c1-11-14-8-12-4-5-17-19(2,7-6-13-10-20(13,17)3)15(12)9-16(14)22-18(11)21/h8,13,15-17H,4-7,9-10H2,1-3H3
InChIKeyOSULXBNEGGTCCA-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.41
Rot. Bonds

About 2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one

2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one (PubChem CID 162966421) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one.

Molecular Properties

Compound Name2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one
PubChem CID162966421
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one
SMILESCC1=C2C=C3CCC4C5(C)CC5CCC4(C)C3CC2OC1=O
InChIInChI=1S/C20H26O2/c1-11-14-8-12-4-5-17-19(2,7-6-13-10-20(13,17)3)15(12)9-16(14)22-18(11)21/h8,13,15-17H,4-7,9-10H2,1-3H3
InChIKeyOSULXBNEGGTCCA-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one with MolForge

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Related Compounds

(4R,4aS,11aR,11bS)-4-(hydroxymethyl)-4,8,11b-trimethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
CID 134838383
(4aR,10aR,11aR,11bR)-4,4,8,11b-tetramethyl-1,3,4a,5,6,10a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-2,9-dione
CID 10710386
2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-10,13-diene-12,15-dione
CID 74959289
(1S,2R,7S,8R,17R)-2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-10,13-diene-12,15-dione
CID 101485501
(1R,4R,5S,7R,10R,11S,13R,18S)-5,10,16-trimethyl-14,19-dioxahexacyclo[9.8.0.01,18.04,10.05,7.013,17]nonadec-16-en-15-one
CID 10903129
2,3-dihydroxy-4,4,11b-trimethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
CID 163089835
(2R,3S,4aR,10aS,11aS,11bS)-2,3-dihydroxy-4,4,11b-trimethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
CID 163089836
(1aR,3aR,5S,7bS)-1a,3a,5,7b-tetramethyl-1b,2,3,5,6,7,7a,8,9,9a-decahydro-1H-cyclopropa[a]phenanthren-4-one
CID 10492588
(3S,4aS,4bS,8aS)-3,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-one
CID 10978226
(3aR,3bR,5aR,9aS,9bS)-3b,6,6,9a-tetramethyl-3a,4,5,5a,7,8,9,9b,10,11-decahydronaphtho[1,2-g][1]benzofuran-2-one
CID 162992082
(5aR,7S,9aR,9bR)-7-methoxy-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-2-one
CID 101034993
(4aR,4bS,7R,8S,8aS)-8-ethyl-7-hydroxy-4b,8-dimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-one
CID 153011722

Frequently Asked Questions

What is the IUPAC name of 2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one?
The IUPAC name of 2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one (CID 162966421) is 2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one.
What is the SMILES notation for 2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one?
The canonical SMILES for 2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one is CC1=C2C=C3CCC4C5(C)CC5CCC4(C)C3CC2OC1=O.
What is the InChIKey of 2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one?
The InChIKey is OSULXBNEGGTCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-11-14-8-12-4-5-17-19(2,7-6-13-10-20(13,17)3)15(12)9-16(14)22-18(11)21/h8,13,15-17H,4-7,9-10H2,1-3H3.
What are the key properties of 2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one?
2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one has a molecular weight of 298.43 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-11,13-dien-15-one is sourced from PubChem (CID 162966421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).