CID 177344238

C27H45OSi — CID 177344238

IUPAC—
SMILESC[Si](C)OC(C[C@H]1CC[C@H]2C3=CC=C4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C
InChIInChI=1S/C27H45OSi/c1-25(2,3)24(28-29(6)7)18-20-12-14-22-21-13-11-19-10-8-9-16-26(19,4)23(21)15-17-27(20,22)5/h11,13,20,22-24H,8-10,12,14-18H2,1-7H3/t20-,22+,23+,24?,26+,27-/m1/s1
InChIKeyVEESEGMTPLKBFD-SLBWBXKSSA-N
MW413.74 g/mol
LogP7.95
Rot. Bonds4

About CID 177344238

CID 177344238 (PubChem CID 177344238) has the molecular formula C27H45OSi and a molecular weight of 413.74 g/mol.

Molecular Properties

Compound NameCID 177344238
PubChem CID177344238
Molecular FormulaC27H45OSi
Molecular Weight413.74 g/mol
Exact Mass413.32
IUPAC Name—
SMILESC[Si](C)OC(C[C@H]1CC[C@H]2C3=CC=C4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C
InChIInChI=1S/C27H45OSi/c1-25(2,3)24(28-29(6)7)18-20-12-14-22-21-13-11-19-10-8-9-16-26(19,4)23(21)15-17-27(20,22)5/h11,13,20,22-24H,8-10,12,14-18H2,1-7H3/t20-,22+,23+,24?,26+,27-/m1/s1
InChIKeyVEESEGMTPLKBFD-SLBWBXKSSA-N
XLogP7.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.74
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 177344238?
The IUPAC name of CID 177344238 (CID 177344238) is not available.
What is the SMILES notation for CID 177344238?
The canonical SMILES for CID 177344238 is C[Si](C)OC(C[C@H]1CC[C@H]2C3=CC=C4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C.
What is the InChIKey of CID 177344238?
The InChIKey is VEESEGMTPLKBFD-SLBWBXKSSA-N. The full InChI is InChI=1S/C27H45OSi/c1-25(2,3)24(28-29(6)7)18-20-12-14-22-21-13-11-19-10-8-9-16-26(19,4)23(21)15-17-27(20,22)5/h11,13,20,22-24H,8-10,12,14-18H2,1-7H3/t20-,22+,23+,24?,26+,27-/m1/s1.
What are the key properties of CID 177344238?
CID 177344238 has a molecular weight of 413.74 g/mol, XLogP of 7.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177344238 is sourced from PubChem (CID 177344238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).