CID 70605412

C26H41O3Si — CID 70605412

IUPAC—
SMILESCC1=C2CC(=O)CC[C@]2(CC(C)(C)C)[C@H]2CC[C@]3(CO[Si](C)C)C(=O)CC[C@H]3[C@@H]2C1
InChIInChI=1S/C26H41O3Si/c1-17-13-19-20-7-8-23(28)26(20,16-29-30(5)6)12-10-21(19)25(15-24(2,3)4)11-9-18(27)14-22(17)25/h19-21H,7-16H2,1-6H3/t19-,20-,21-,25-,26+/m0/s1
InChIKeyYUVXHSIXQNYZID-SUVMOZOHSA-N
MW429.70 g/mol
LogP6.14
Rot. Bonds4

About CID 70605412

CID 70605412 (PubChem CID 70605412) has the molecular formula C26H41O3Si and a molecular weight of 429.70 g/mol.

Molecular Properties

Compound NameCID 70605412
PubChem CID70605412
Molecular FormulaC26H41O3Si
Molecular Weight429.70 g/mol
Exact Mass429.28
IUPAC Name—
SMILESCC1=C2CC(=O)CC[C@]2(CC(C)(C)C)[C@H]2CC[C@]3(CO[Si](C)C)C(=O)CC[C@H]3[C@@H]2C1
InChIInChI=1S/C26H41O3Si/c1-17-13-19-20-7-8-23(28)26(20,16-29-30(5)6)12-10-21(19)25(15-24(2,3)4)11-9-18(27)14-22(17)25/h19-21H,7-16H2,1-6H3/t19-,20-,21-,25-,26+/m0/s1
InChIKeyYUVXHSIXQNYZID-SUVMOZOHSA-N
XLogP6.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.70
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 22806942
(3S,8R,9S,10S,13S,14S)-3-hydroxy-10-(hydroxymethyl)-6,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 70614887
(8R,9S,10R,13S,14S)-6,13-dimethyl-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 57285754
(8R,9S,10S,13R,14S)-10-methyl-13-prop-2-ynyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 87709830
(3aR,7aS)-7a-ethyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
CID 102589367
[(8R,9R,10S,13S,14S)-4,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl propanoate
CID 70618295
2-[(8R,9R,10S,13S,14S)-13-methyl-3,17-dioxo-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]acetonitrile
CID 57211179
(8R,9S,10R,13S,14S)-13-ethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 10379264
(6E,8R,9S,10R,13S,14S)-6-hydroxyimino-13-(hydroxymethyl)-10-methyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 141192349
(5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-2,18-diene-8,16-dione
CID 91245730
3-methoxy-6,10,13-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 59877632
(3S,8R,9S,10R,13R,14S)-13-(bromomethyl)-3-hydroxy-10-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 141169648

Frequently Asked Questions

What is the IUPAC name of CID 70605412?
The IUPAC name of CID 70605412 (CID 70605412) is not available.
What is the SMILES notation for CID 70605412?
The canonical SMILES for CID 70605412 is CC1=C2CC(=O)CC[C@]2(CC(C)(C)C)[C@H]2CC[C@]3(CO[Si](C)C)C(=O)CC[C@H]3[C@@H]2C1.
What is the InChIKey of CID 70605412?
The InChIKey is YUVXHSIXQNYZID-SUVMOZOHSA-N. The full InChI is InChI=1S/C26H41O3Si/c1-17-13-19-20-7-8-23(28)26(20,16-29-30(5)6)12-10-21(19)25(15-24(2,3)4)11-9-18(27)14-22(17)25/h19-21H,7-16H2,1-6H3/t19-,20-,21-,25-,26+/m0/s1.
What are the key properties of CID 70605412?
CID 70605412 has a molecular weight of 429.70 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70605412 is sourced from PubChem (CID 70605412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).