[(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane

C23H36O2Si — CID 15713374

IUPAC[(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane
SMILESCOC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H]3C[C@]32O[Si](C)(C)C)C1
InChIInChI=1S/C23H36O2Si/c1-22-11-10-19-18-9-7-17(24-2)12-15(18)6-8-20(19)21(22)13-16-14-23(16,22)25-26(3,4)5/h7,16,19-21H,6,8-14H2,1-5H3/t16-,19+,20+,21-,22-,23-/m0/s1
InChIKeyWKKFVSZJVCBBSJ-BIHOGTNGSA-N
MW372.63 g/mol
LogP6.06
Rot. Bonds3

About [(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane

[(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane (PubChem CID 15713374) has the molecular formula C23H36O2Si and a molecular weight of 372.63 g/mol. Its IUPAC name is [(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane
PubChem CID15713374
Molecular FormulaC23H36O2Si
Molecular Weight372.63 g/mol
Exact Mass372.25
IUPAC Name[(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane
SMILESCOC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H]3C[C@]32O[Si](C)(C)C)C1
InChIInChI=1S/C23H36O2Si/c1-22-11-10-19-18-9-7-17(24-2)12-15(18)6-8-20(19)21(22)13-16-14-23(16,22)25-26(3,4)5/h7,16,19-21H,6,8-14H2,1-5H3/t16-,19+,20+,21-,22-,23-/m0/s1
InChIKeyWKKFVSZJVCBBSJ-BIHOGTNGSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.63
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane with MolForge

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Related Compounds

(1R,2S,4S,6S,7S,10S)-6,14-dimethoxy-7-methylpentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-diene
CID 15718555
(1R,2S,4S,6S,7S,10S)-6-ethoxy-14-methoxy-7-methylpentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-diene
CID 67833479
(1R,2S,4S,6S,7S,10S)-6-hexoxy-14-methoxy-7-methylpentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-diene
CID 67833427
(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
CID 99576493
(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
CID 99576492
(8S,9S,13R,14S)-3-methoxy-13,16,16-trimethyl-4,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 154332393
(8R,9S,13S,14S)-3-methoxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
CID 22791425
17-ethynyl-3-methoxy-13-methyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 21200349
(8R,9S,13S,14S)-17-ethenylidene-3-methoxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene
CID 87442186
(1S)-1-[(8S,9S,13S,14S,17S)-3-methoxy-13-methyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanol
CID 67787575
(8R,9S,13S,14S,17S)-13-ethyl-3,17-dimethoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 54300386
(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-1,4,6,7,8,9,11,12,14,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 18639151

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane?
The IUPAC name of [(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane (CID 15713374) is [(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane?
The canonical SMILES for [(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane is COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H]3C[C@]32O[Si](C)(C)C)C1.
What is the InChIKey of [(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane?
The InChIKey is WKKFVSZJVCBBSJ-BIHOGTNGSA-N. The full InChI is InChI=1S/C23H36O2Si/c1-22-11-10-19-18-9-7-17(24-2)12-15(18)6-8-20(19)21(22)13-16-14-23(16,22)25-26(3,4)5/h7,16,19-21H,6,8-14H2,1-5H3/t16-,19+,20+,21-,22-,23-/m0/s1.
What are the key properties of [(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane?
[(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane has a molecular weight of 372.63 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S,6S,7S,10S)-14-methoxy-7-methyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),13-dienyl]oxy-trimethylsilane is sourced from PubChem (CID 15713374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).