(1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one

C20H28O — CID 70147149

IUPAC(1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one
SMILESCC1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)CCC4CC43[C@H]12
InChIInChI=1S/C20H28O/c1-12-9-13-10-15(21)3-4-16(13)17-6-8-19(2)7-5-14-11-20(14,19)18(12)17/h10,12,14,16-18H,3-9,11H2,1-2H3/t12?,14?,16-,17+,18+,19-,20?/m0/s1
InChIKeyVPDUWSOFHUTOHT-JHPXEBOJSA-N
MW284.44 g/mol
LogP4.76
Rot. Bonds

About (1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one

(1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one (PubChem CID 70147149) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is (1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one.

Molecular Properties

Compound Name(1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one
PubChem CID70147149
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name(1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one
SMILESCC1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)CCC4CC43[C@H]12
InChIInChI=1S/C20H28O/c1-12-9-13-10-15(21)3-4-16(13)17-6-8-19(2)7-5-14-11-20(14,19)18(12)17/h10,12,14,16-18H,3-9,11H2,1-2H3/t12?,14?,16-,17+,18+,19-,20?/m0/s1
InChIKeyVPDUWSOFHUTOHT-JHPXEBOJSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one with MolForge

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Related Compounds

(1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one
CID 90850507
(8R,9S,10R,13R,14S)-7,13-dimethyl-2,6,7,8,9,10,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 57269266
(1R,2S,7S,10R,11R)-6-hydroxy-6-(methoxymethyl)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one
CID 70148153
(8R,9S,10R,13S,14S)-15-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 70893591
(1aR,6aR)-1,1-dimethyl-1a,1b,2,3,6,6a-hexahydrocyclopropa[a]inden-4-one
CID 130297517
(7R,8S,9R,10R,13S,14R,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 124918258
(2S,7'S,11'R)-7',18'-dimethylspiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one
CID 70801922
(8R,9S,13R,14S,17S)-7-ethenyl-13,17-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 59294664
[(7R,9S,14S,17S)-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CID 22534
(5S,7'S,11'R)-7',18'-dimethylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 58109813
(1R,2S,3R,5S,7S,10S,11R,18S)-7-ethyl-6,18-dimethyl-14-oxopentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene-6-carbonitrile
CID 25127597
(1'R,2'S,3'R,5S,5'R,7'S,10'S,11'R,18'R)-7',18'-dimethylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 58109811

Frequently Asked Questions

What is the IUPAC name of (1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one?
The IUPAC name of (1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one (CID 70147149) is (1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one.
What is the SMILES notation for (1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one?
The canonical SMILES for (1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one is CC1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)CCC4CC43[C@H]12.
What is the InChIKey of (1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one?
The InChIKey is VPDUWSOFHUTOHT-JHPXEBOJSA-N. The full InChI is InChI=1S/C20H28O/c1-12-9-13-10-15(21)3-4-16(13)17-6-8-19(2)7-5-14-11-20(14,19)18(12)17/h10,12,14,16-18H,3-9,11H2,1-2H3/t12?,14?,16-,17+,18+,19-,20?/m0/s1.
What are the key properties of (1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one?
(1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one has a molecular weight of 284.44 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one is sourced from PubChem (CID 70147149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).