CID 134969845

C17H35O2Si2 — CID 134969845

IUPAC—
SMILESCC#C[C@@H](C)[C@@H](O[Si](C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35O2Si2/c1-11-12-14(2)16(19-20(7)8)15(3)13-18-21(9,10)17(4,5)6/h14-16H,13H2,1-10H3/t14-,15-,16-/m1/s1
InChIKeyXTESZZFHOHFEHF-BZUAXINKSA-N
MW327.64 g/mol
LogP4.94
Rot. Bonds7

About CID 134969845

CID 134969845 (PubChem CID 134969845) has the molecular formula C17H35O2Si2 and a molecular weight of 327.64 g/mol.

Molecular Properties

Compound NameCID 134969845
PubChem CID134969845
Molecular FormulaC17H35O2Si2
Molecular Weight327.64 g/mol
Exact Mass327.22
IUPAC Name—
SMILESCC#C[C@@H](C)[C@@H](O[Si](C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35O2Si2/c1-11-12-14(2)16(19-20(7)8)15(3)13-18-21(9,10)17(4,5)6/h14-16H,13H2,1-10H3/t14-,15-,16-/m1/s1
InChIKeyXTESZZFHOHFEHF-BZUAXINKSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.64
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134969845?
The IUPAC name of CID 134969845 (CID 134969845) is not available.
What is the SMILES notation for CID 134969845?
The canonical SMILES for CID 134969845 is CC#C[C@@H](C)[C@@H](O[Si](C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 134969845?
The InChIKey is XTESZZFHOHFEHF-BZUAXINKSA-N. The full InChI is InChI=1S/C17H35O2Si2/c1-11-12-14(2)16(19-20(7)8)15(3)13-18-21(9,10)17(4,5)6/h14-16H,13H2,1-10H3/t14-,15-,16-/m1/s1.
What are the key properties of CID 134969845?
CID 134969845 has a molecular weight of 327.64 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134969845 is sourced from PubChem (CID 134969845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).