tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane

C26H44OSi — CID 71289796

IUPACtert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane
SMILESCC1=CCC2C3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3CC[C@]12C
InChIInChI=1S/C26H44OSi/c1-18-9-12-22-21-11-10-19-17-20(27-28(7,8)24(2,3)4)13-15-26(19,6)23(21)14-16-25(18,22)5/h9-10,20-23H,11-17H2,1-8H3/t20-,21?,22?,23?,25+,26-/m0/s1
InChIKeyLAMFTPYYLREOJV-KNSDLTJZSA-N
MW400.72 g/mol
LogP7.90
Rot. Bonds2

About tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane

tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane (PubChem CID 71289796) has the molecular formula C26H44OSi and a molecular weight of 400.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane
PubChem CID71289796
Molecular FormulaC26H44OSi
Molecular Weight400.72 g/mol
Exact Mass400.32
IUPAC Nametert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane
SMILESCC1=CCC2C3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3CC[C@]12C
InChIInChI=1S/C26H44OSi/c1-18-9-12-22-21-11-10-19-17-20(27-28(7,8)24(2,3)4)13-15-26(19,6)23(21)14-16-25(18,22)5/h9-10,20-23H,11-17H2,1-8H3/t20-,21?,22?,23?,25+,26-/m0/s1
InChIKeyLAMFTPYYLREOJV-KNSDLTJZSA-N
XLogP7.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.72
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane (CID 71289796) is tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane is CC1=CCC2C3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3CC[C@]12C.
What is the InChIKey of tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?
The InChIKey is LAMFTPYYLREOJV-KNSDLTJZSA-N. The full InChI is InChI=1S/C26H44OSi/c1-18-9-12-22-21-11-10-19-17-20(27-28(7,8)24(2,3)4)13-15-26(19,6)23(21)14-16-25(18,22)5/h9-10,20-23H,11-17H2,1-8H3/t20-,21?,22?,23?,25+,26-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?
tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane has a molecular weight of 400.72 g/mol, XLogP of 7.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(3S,10R,13S)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane is sourced from PubChem (CID 71289796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).