trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane

C23H34O3Si — CID 59804536

IUPACtrimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane
SMILESC[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC=C2O[Si](C)(C)C)CC1(CC4)OCCO1
InChIInChI=1S/C23H34O3Si/c1-22-11-9-18-17-10-12-23(24-13-14-25-23)15-16(17)5-6-19(18)20(22)7-8-21(22)26-27(2,3)4/h8-9,19-20H,5-7,10-15H2,1-4H3/t19-,20+,22+/m1/s1
InChIKeyUWTDLJONQPRJNJ-URVUXULASA-N
MW386.61 g/mol
LogP5.71
Rot. Bonds2

About trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane

trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane (PubChem CID 59804536) has the molecular formula C23H34O3Si and a molecular weight of 386.61 g/mol. Its IUPAC name is trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane
PubChem CID59804536
Molecular FormulaC23H34O3Si
Molecular Weight386.61 g/mol
Exact Mass386.23
IUPAC Nametrimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane
SMILESC[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC=C2O[Si](C)(C)C)CC1(CC4)OCCO1
InChIInChI=1S/C23H34O3Si/c1-22-11-9-18-17-10-12-23(24-13-14-25-23)15-16(17)5-6-19(18)20(22)7-8-21(22)26-27(2,3)4/h8-9,19-20H,5-7,10-15H2,1-4H3/t19-,20+,22+/m1/s1
InChIKeyUWTDLJONQPRJNJ-URVUXULASA-N
XLogP5.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.61
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane?
The IUPAC name of trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane (CID 59804536) is trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane.
What is the SMILES notation for trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane?
The canonical SMILES for trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane is C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC=C2O[Si](C)(C)C)CC1(CC4)OCCO1.
What is the InChIKey of trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane?
The InChIKey is UWTDLJONQPRJNJ-URVUXULASA-N. The full InChI is InChI=1S/C23H34O3Si/c1-22-11-9-18-17-10-12-23(24-13-14-25-23)15-16(17)5-6-19(18)20(22)7-8-21(22)26-27(2,3)4/h8-9,19-20H,5-7,10-15H2,1-4H3/t19-,20+,22+/m1/s1.
What are the key properties of trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane?
trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane has a molecular weight of 386.61 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(8'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]oxysilane is sourced from PubChem (CID 59804536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).