CID 54015848

C16H29O4Si — CID 54015848

IUPAC—
SMILESC=CCOC(OCC=C)C(OCC=C)OCCC[Si](C)C
InChIInChI=1S/C16H29O4Si/c1-6-10-17-15(18-11-7-2)16(19-12-8-3)20-13-9-14-21(4)5/h6-8,15-16H,1-3,9-14H2,4-5H3
InChIKeyKVOOJVHEDQDZFT-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.41
Rot. Bonds15

About CID 54015848

CID 54015848 (PubChem CID 54015848) has the molecular formula C16H29O4Si and a molecular weight of 313.49 g/mol.

Molecular Properties

Compound NameCID 54015848
PubChem CID54015848
Molecular FormulaC16H29O4Si
Molecular Weight313.49 g/mol
Exact Mass313.18
IUPAC Name—
SMILESC=CCOC(OCC=C)C(OCC=C)OCCC[Si](C)C
InChIInChI=1S/C16H29O4Si/c1-6-10-17-15(18-11-7-2)16(19-12-8-3)20-13-9-14-21(4)5/h6-8,15-16H,1-3,9-14H2,4-5H3
InChIKeyKVOOJVHEDQDZFT-UHFFFAOYSA-N
XLogP3.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 54015848?
The IUPAC name of CID 54015848 (CID 54015848) is not available.
What is the SMILES notation for CID 54015848?
The canonical SMILES for CID 54015848 is C=CCOC(OCC=C)C(OCC=C)OCCC[Si](C)C.
What is the InChIKey of CID 54015848?
The InChIKey is KVOOJVHEDQDZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29O4Si/c1-6-10-17-15(18-11-7-2)16(19-12-8-3)20-13-9-14-21(4)5/h6-8,15-16H,1-3,9-14H2,4-5H3.
What are the key properties of CID 54015848?
CID 54015848 has a molecular weight of 313.49 g/mol, XLogP of 3.41, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54015848 is sourced from PubChem (CID 54015848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).