CID 11093016

C34H56O5Si — CID 11093016

IUPAC—
SMILESCC1(C)COC2(CC[C@]3(CC#C[Si](C)(C)C)[C@H]4CC[C@@]5(C)[C@@H](CCC56OCC(C)(C)CO6)[C@@H]4CC[C@@]3(O)C2)OC1
InChIInChI=1S/C34H56O5Si/c1-28(2)21-36-33(37-22-28)18-17-31(13-9-19-40(6,7)8)27-11-14-30(5)26(25(27)10-15-32(31,35)20-33)12-16-34(30)38-23-29(3,4)24-39-34/h25-27,35H,10-18,20-24H2,1-8H3/t25-,26-,27-,30-,31+,32+/m0/s1
InChIKeyNAISPCAPUXSKBA-IOEOTGLTSA-N
MW572.90 g/mol
LogP6.93
Rot. Bonds1

About CID 11093016

CID 11093016 (PubChem CID 11093016) has the molecular formula C34H56O5Si and a molecular weight of 572.90 g/mol.

Molecular Properties

Compound NameCID 11093016
PubChem CID11093016
Molecular FormulaC34H56O5Si
Molecular Weight572.90 g/mol
Exact Mass572.39
IUPAC Name—
SMILESCC1(C)COC2(CC[C@]3(CC#C[Si](C)(C)C)[C@H]4CC[C@@]5(C)[C@@H](CCC56OCC(C)(C)CO6)[C@@H]4CC[C@@]3(O)C2)OC1
InChIInChI=1S/C34H56O5Si/c1-28(2)21-36-33(37-22-28)18-17-31(13-9-19-40(6,7)8)27-11-14-30(5)26(25(27)10-15-32(31,35)20-33)12-16-34(30)38-23-29(3,4)24-39-34/h25-27,35H,10-18,20-24H2,1-8H3/t25-,26-,27-,30-,31+,32+/m0/s1
InChIKeyNAISPCAPUXSKBA-IOEOTGLTSA-N
XLogP6.93
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.90
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5'R,8'S,9'S,10'S,13'S,14'S,17'S)-10'-(3-bromoprop-2-ynyl)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol
CID 70376616
CID 10025152
CID 10025152
(3S,5S,8R,9S,10S,13S,14S)-3,5',5',10,13-pentamethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]
CID 121369478
(3S,8R,9S,10R,13S,14S)-5',5',10,13-tetramethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxane]-3-ol
CID 130227123
(5'R,8'S,10'S,13'S,14'S,17'S)-10'-(3-bromoprop-2-ynyl)-5,5,13'-trimethylspiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol
CID 15231365
(1'S,2'R,4'S,9'R,12'S,13'S,16'S,17'R)-5,5,17'-trimethylspiro[1,3-dioxane-2,7'-19-oxahexacyclo[14.2.1.02,4.02,12.04,9.013,17]nonadecane]-9'-ol
CID 10362864
CID 138655416
CID 138655416
(1'S,11'S,15'S,16'S,19'R)-19'-hydroxy-5,5,11'-trimethyl-5'-(2-trimethylsilylethynyl)spiro[1,3-dioxane-2,21'-hexacyclo[14.7.1.01,19.03,8.09,24.011,15]tetracosa-3(8),4,6-triene]-12'-one
CID 22842749
(3S,5R,10R,13S,17S)-10,13,17-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5,17-triol
CID 171976768
(8'R,9'S,10'R,13'S,14'S,17'R)-17'-hydroxy-5,5,10',13'-tetramethylspiro[1,3-dioxane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile
CID 102057153
CID 77472880
CID 77472880
CID 144797601
CID 144797601

Frequently Asked Questions

What is the IUPAC name of CID 11093016?
The IUPAC name of CID 11093016 (CID 11093016) is not available.
What is the SMILES notation for CID 11093016?
The canonical SMILES for CID 11093016 is CC1(C)COC2(CC[C@]3(CC#C[Si](C)(C)C)[C@H]4CC[C@@]5(C)[C@@H](CCC56OCC(C)(C)CO6)[C@@H]4CC[C@@]3(O)C2)OC1.
What is the InChIKey of CID 11093016?
The InChIKey is NAISPCAPUXSKBA-IOEOTGLTSA-N. The full InChI is InChI=1S/C34H56O5Si/c1-28(2)21-36-33(37-22-28)18-17-31(13-9-19-40(6,7)8)27-11-14-30(5)26(25(27)10-15-32(31,35)20-33)12-16-34(30)38-23-29(3,4)24-39-34/h25-27,35H,10-18,20-24H2,1-8H3/t25-,26-,27-,30-,31+,32+/m0/s1.
What are the key properties of CID 11093016?
CID 11093016 has a molecular weight of 572.90 g/mol, XLogP of 6.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11093016 is sourced from PubChem (CID 11093016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).