CID 86602195

C26H43O3Si — CID 86602195

IUPAC—
SMILESCC(C)C(C)(C)C1=C2CC[C@@H]3[C@H](CC[C@]4(CO[Si](C)C)[C@@H](O)CC[C@@H]34)[C@H]2CCC1=O
InChIInChI=1S/C26H43O3Si/c1-16(2)25(3,4)24-20-8-7-19-18(17(20)9-11-22(24)27)13-14-26(15-29-30(5)6)21(19)10-12-23(26)28/h16-19,21,23,28H,7-15H2,1-6H3/t17-,18-,19-,21+,23+,26-/m1/s1
InChIKeyWGGYBXUYMWRSDF-FVLCMFLHSA-N
MW431.71 g/mol
LogP5.79
Rot. Bonds5

About CID 86602195

CID 86602195 (PubChem CID 86602195) has the molecular formula C26H43O3Si and a molecular weight of 431.71 g/mol.

Molecular Properties

Compound NameCID 86602195
PubChem CID86602195
Molecular FormulaC26H43O3Si
Molecular Weight431.71 g/mol
Exact Mass431.30
IUPAC Name—
SMILESCC(C)C(C)(C)C1=C2CC[C@@H]3[C@H](CC[C@]4(CO[Si](C)C)[C@@H](O)CC[C@@H]34)[C@H]2CCC1=O
InChIInChI=1S/C26H43O3Si/c1-16(2)25(3,4)24-20-8-7-19-18(17(20)9-11-22(24)27)13-14-26(15-29-30(5)6)21(19)10-12-23(26)28/h16-19,21,23,28H,7-15H2,1-6H3/t17-,18-,19-,21+,23+,26-/m1/s1
InChIKeyWGGYBXUYMWRSDF-FVLCMFLHSA-N
XLogP5.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(8S,9S,10S,13S,14R,17S)-4-bromo-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 125124419
4,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 14299614
(8R,9S,10R,14S,17S)-17-hydroxy-13-(3,3,4,4,4-pentafluorobutan-2-yl)-1,2,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4-dione
CID 91354057
(3S)-3-hydroxy-6-(2-methylbutyl)-1,2,3,3a,4,5,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one
CID 67897414
(9aS)-3-hydroxy-3a,6-dimethyl-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-7-one
CID 129095073
(3R,3aR)-3-hydroxy-3a,6-dimethyl-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-7-one
CID 13084352
(8R,9S,10S,13S,14S,17R)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 11875292
(8R,9S,10R,13S,14R,17R)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 7048586
(8R,9S,10R,13S,14S,17S)-13-ethyl-17-hydroxy-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 54393203
(8R,9S,10R,14S)-4-bromo-13-(3,3,4,4,4-pentafluoro-1-hydroxybutan-2-yl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 90850558
ethane;17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 157026706
(5S,8S,9R,10R,13S,14S,17R)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 124911649

Frequently Asked Questions

What is the IUPAC name of CID 86602195?
The IUPAC name of CID 86602195 (CID 86602195) is not available.
What is the SMILES notation for CID 86602195?
The canonical SMILES for CID 86602195 is CC(C)C(C)(C)C1=C2CC[C@@H]3[C@H](CC[C@]4(CO[Si](C)C)[C@@H](O)CC[C@@H]34)[C@H]2CCC1=O.
What is the InChIKey of CID 86602195?
The InChIKey is WGGYBXUYMWRSDF-FVLCMFLHSA-N. The full InChI is InChI=1S/C26H43O3Si/c1-16(2)25(3,4)24-20-8-7-19-18(17(20)9-11-22(24)27)13-14-26(15-29-30(5)6)21(19)10-12-23(26)28/h16-19,21,23,28H,7-15H2,1-6H3/t17-,18-,19-,21+,23+,26-/m1/s1.
What are the key properties of CID 86602195?
CID 86602195 has a molecular weight of 431.71 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86602195 is sourced from PubChem (CID 86602195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).