CID 54035985

C6H12OSi — CID 54035985

IUPAC—
SMILESCCCCC=C[Si]O
InChIInChI=1S/C6H12OSi/c1-2-3-4-5-6-8-7/h5-7H,2-4H2,1H3
InChIKeyKEOTYGAIAPMDEA-UHFFFAOYSA-N
MW128.25 g/mol
LogP1.30
Rot. Bonds4

About CID 54035985

CID 54035985 (PubChem CID 54035985) has the molecular formula C6H12OSi and a molecular weight of 128.25 g/mol.

Molecular Properties

Compound NameCID 54035985
PubChem CID54035985
Molecular FormulaC6H12OSi
Molecular Weight128.25 g/mol
Exact Mass128.07
IUPAC Name—
SMILESCCCCC=C[Si]O
InChIInChI=1S/C6H12OSi/c1-2-3-4-5-6-8-7/h5-7H,2-4H2,1H3
InChIKeyKEOTYGAIAPMDEA-UHFFFAOYSA-N
XLogP1.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 54035985?
The IUPAC name of CID 54035985 (CID 54035985) is not available.
What is the SMILES notation for CID 54035985?
The canonical SMILES for CID 54035985 is CCCCC=C[Si]O.
What is the InChIKey of CID 54035985?
The InChIKey is KEOTYGAIAPMDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OSi/c1-2-3-4-5-6-8-7/h5-7H,2-4H2,1H3.
What are the key properties of CID 54035985?
CID 54035985 has a molecular weight of 128.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54035985 is sourced from PubChem (CID 54035985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).