[10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C28H54O3Si3 — CID 526026

IUPAC[10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESCC12CCC(O[Si](C)(C)C)CC1=CC(O[Si](C)(C)C)C1C2CCC2(C)C(O[Si](C)(C)C)CCC12
InChIInChI=1S/C28H54O3Si3/c1-27-16-14-21(29-32(3,4)5)18-20(27)19-24(30-33(6,7)8)26-22-12-13-25(31-34(9,10)11)28(22,2)17-15-23(26)27/h19,21-26H,12-18H2,1-11H3
InChIKeyYZJWSRYSQHTCFY-UHFFFAOYSA-N
MW523.00 g/mol
LogP8.22
Rot. Bonds6

About [10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 526026) has the molecular formula C28H54O3Si3 and a molecular weight of 523.00 g/mol. Its IUPAC name is [10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
PubChem CID526026
Molecular FormulaC28H54O3Si3
Molecular Weight523.00 g/mol
Exact Mass522.34
IUPAC Name[10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESCC12CCC(O[Si](C)(C)C)CC1=CC(O[Si](C)(C)C)C1C2CCC2(C)C(O[Si](C)(C)C)CCC12
InChIInChI=1S/C28H54O3Si3/c1-27-16-14-21(29-32(3,4)5)18-20(27)19-24(30-33(6,7)8)26-22-12-13-25(31-34(9,10)11)28(22,2)17-15-23(26)27/h19,21-26H,12-18H2,1-11H3
InChIKeyYZJWSRYSQHTCFY-UHFFFAOYSA-N
XLogP8.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.00
LogP ≤ 58.22
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'}

Analyze [10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The IUPAC name of [10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 526026) is [10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.
What is the SMILES notation for [10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The canonical SMILES for [10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is CC12CCC(O[Si](C)(C)C)CC1=CC(O[Si](C)(C)C)C1C2CCC2(C)C(O[Si](C)(C)C)CCC12.
What is the InChIKey of [10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The InChIKey is YZJWSRYSQHTCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O3Si3/c1-27-16-14-21(29-32(3,4)5)18-20(27)19-24(30-33(6,7)8)26-22-12-13-25(31-34(9,10)11)28(22,2)17-15-23(26)27/h19,21-26H,12-18H2,1-11H3.
What are the key properties of [10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
[10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 523.00 g/mol, XLogP of 8.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 526026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).