CID 136913499

C7H14OSi — CID 136913499

IUPAC—
SMILESC=CC[Si]OC(C)CC
InChIInChI=1S/C7H14OSi/c1-4-6-9-8-7(3)5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyNKQXSGXJCAZGFF-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.03
Rot. Bonds5

About CID 136913499

CID 136913499 (PubChem CID 136913499) has the molecular formula C7H14OSi and a molecular weight of 142.27 g/mol.

Molecular Properties

Compound NameCID 136913499
PubChem CID136913499
Molecular FormulaC7H14OSi
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name—
SMILESC=CC[Si]OC(C)CC
InChIInChI=1S/C7H14OSi/c1-4-6-9-8-7(3)5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyNKQXSGXJCAZGFF-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136913499?
The IUPAC name of CID 136913499 (CID 136913499) is not available.
What is the SMILES notation for CID 136913499?
The canonical SMILES for CID 136913499 is C=CC[Si]OC(C)CC.
What is the InChIKey of CID 136913499?
The InChIKey is NKQXSGXJCAZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OSi/c1-4-6-9-8-7(3)5-2/h4,7H,1,5-6H2,2-3H3.
What are the key properties of CID 136913499?
CID 136913499 has a molecular weight of 142.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136913499 is sourced from PubChem (CID 136913499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).