CID 25170053

C17H29OSi — CID 25170053

IUPAC—
SMILESCC#C[C@@H](C)[C@@H](CCC)O[Si](C/C=C\C)C/C=C\C
InChIInChI=1S/C17H29OSi/c1-6-10-14-19(15-11-7-2)18-17(13-9-4)16(5)12-8-3/h6-7,10-11,16-17H,9,13-15H2,1-5H3/b10-6-,11-7-/t16-,17-/m1/s1
InChIKeyHJQMSKZFZHMOQF-RDPVWHKQSA-N
MW277.50 g/mol
LogP4.97
Rot. Bonds9

About CID 25170053

CID 25170053 (PubChem CID 25170053) has the molecular formula C17H29OSi and a molecular weight of 277.50 g/mol.

Molecular Properties

Compound NameCID 25170053
PubChem CID25170053
Molecular FormulaC17H29OSi
Molecular Weight277.50 g/mol
Exact Mass277.20
IUPAC Name—
SMILESCC#C[C@@H](C)[C@@H](CCC)O[Si](C/C=C\C)C/C=C\C
InChIInChI=1S/C17H29OSi/c1-6-10-14-19(15-11-7-2)18-17(13-9-4)16(5)12-8-3/h6-7,10-11,16-17H,9,13-15H2,1-5H3/b10-6-,11-7-/t16-,17-/m1/s1
InChIKeyHJQMSKZFZHMOQF-RDPVWHKQSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.50
LogP ≤ 54.97
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 25170053?
The IUPAC name of CID 25170053 (CID 25170053) is not available.
What is the SMILES notation for CID 25170053?
The canonical SMILES for CID 25170053 is CC#C[C@@H](C)[C@@H](CCC)O[Si](C/C=C\C)C/C=C\C.
What is the InChIKey of CID 25170053?
The InChIKey is HJQMSKZFZHMOQF-RDPVWHKQSA-N. The full InChI is InChI=1S/C17H29OSi/c1-6-10-14-19(15-11-7-2)18-17(13-9-4)16(5)12-8-3/h6-7,10-11,16-17H,9,13-15H2,1-5H3/b10-6-,11-7-/t16-,17-/m1/s1.
What are the key properties of CID 25170053?
CID 25170053 has a molecular weight of 277.50 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25170053 is sourced from PubChem (CID 25170053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).