CID 10779896

C18H29OSi — CID 10779896

IUPAC—
SMILESC=CCC(O[Si](C(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29OSi/c1-8-12-16(15-13-10-9-11-14-15)19-20(17(2,3)4)18(5,6)7/h8-11,13-14,16H,1,12H2,2-7H3
InChIKeyWPKBINQTPBDTGF-UHFFFAOYSA-N
MW289.52 g/mol
LogP5.91
Rot. Bonds5

About CID 10779896

CID 10779896 (PubChem CID 10779896) has the molecular formula C18H29OSi and a molecular weight of 289.52 g/mol.

Molecular Properties

Compound NameCID 10779896
PubChem CID10779896
Molecular FormulaC18H29OSi
Molecular Weight289.52 g/mol
Exact Mass289.20
IUPAC Name—
SMILESC=CCC(O[Si](C(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29OSi/c1-8-12-16(15-13-10-9-11-14-15)19-20(17(2,3)4)18(5,6)7/h8-11,13-14,16H,1,12H2,2-7H3
InChIKeyWPKBINQTPBDTGF-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.52
LogP ≤ 55.91
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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Related Compounds

tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
CID 177490506
CID 177490506
trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
CID 15532498
tert-butyl N-(1-phenylbut-3-enoxy)carbamate
CID 11173083
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 10729668
triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane
CID 11222478
1-phenylbut-3-enyl hydrogen sulfate
CID 87479107
1-phenylbut-3-enyl carbamate
CID 126509930
1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene
CID 11130099
methyl 2-(1-phenylbut-3-enoxy)acetate
CID 11775632
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057

Frequently Asked Questions

What is the IUPAC name of CID 10779896?
The IUPAC name of CID 10779896 (CID 10779896) is not available.
What is the SMILES notation for CID 10779896?
The canonical SMILES for CID 10779896 is C=CCC(O[Si](C(C)(C)C)C(C)(C)C)c1ccccc1.
What is the InChIKey of CID 10779896?
The InChIKey is WPKBINQTPBDTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29OSi/c1-8-12-16(15-13-10-9-11-14-15)19-20(17(2,3)4)18(5,6)7/h8-11,13-14,16H,1,12H2,2-7H3.
What are the key properties of CID 10779896?
CID 10779896 has a molecular weight of 289.52 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10779896 is sourced from PubChem (CID 10779896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).