CID 91404416

C17H37OSi2 — CID 91404416

IUPAC—
SMILESC[Si](C)C(C)(C)C[Si](C)(C)C(C)(C)CC1CCCCO1
InChIInChI=1S/C17H37OSi2/c1-16(2,19(5)6)14-20(7,8)17(3,4)13-15-11-9-10-12-18-15/h15H,9-14H2,1-8H3
InChIKeyVBACOQNTTKNABV-UHFFFAOYSA-N
MW313.65 g/mol
LogP5.97
Rot. Bonds6

About CID 91404416

CID 91404416 (PubChem CID 91404416) has the molecular formula C17H37OSi2 and a molecular weight of 313.65 g/mol.

Molecular Properties

Compound NameCID 91404416
PubChem CID91404416
Molecular FormulaC17H37OSi2
Molecular Weight313.65 g/mol
Exact Mass313.24
IUPAC Name—
SMILESC[Si](C)C(C)(C)C[Si](C)(C)C(C)(C)CC1CCCCO1
InChIInChI=1S/C17H37OSi2/c1-16(2,19(5)6)14-20(7,8)17(3,4)13-15-11-9-10-12-18-15/h15H,9-14H2,1-8H3
InChIKeyVBACOQNTTKNABV-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.65
LogP ≤ 55.97
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 91404416?
The IUPAC name of CID 91404416 (CID 91404416) is not available.
What is the SMILES notation for CID 91404416?
The canonical SMILES for CID 91404416 is C[Si](C)C(C)(C)C[Si](C)(C)C(C)(C)CC1CCCCO1.
What is the InChIKey of CID 91404416?
The InChIKey is VBACOQNTTKNABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37OSi2/c1-16(2,19(5)6)14-20(7,8)17(3,4)13-15-11-9-10-12-18-15/h15H,9-14H2,1-8H3.
What are the key properties of CID 91404416?
CID 91404416 has a molecular weight of 313.65 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91404416 is sourced from PubChem (CID 91404416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).