CID 20640902

C10H13OSi — CID 20640902

IUPAC—
SMILES[Si]C1CC2CC1C1C2CC2OC21
InChIInChI=1S/C10H13OSi/c12-8-2-4-1-6(8)9-5(4)3-7-10(9)11-7/h4-10H,1-3H2
InChIKeyNTYBJOILQJFZID-UHFFFAOYSA-N
MW177.30 g/mol
LogP1.39
Rot. Bonds

About CID 20640902

CID 20640902 (PubChem CID 20640902) has the molecular formula C10H13OSi and a molecular weight of 177.30 g/mol.

Molecular Properties

Compound NameCID 20640902
PubChem CID20640902
Molecular FormulaC10H13OSi
Molecular Weight177.30 g/mol
Exact Mass177.07
IUPAC Name—
SMILES[Si]C1CC2CC1C1C2CC2OC21
InChIInChI=1S/C10H13OSi/c12-8-2-4-1-6(8)9-5(4)3-7-10(9)11-7/h4-10H,1-3H2
InChIKeyNTYBJOILQJFZID-UHFFFAOYSA-N
XLogP1.39
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 20640902?
The IUPAC name of CID 20640902 (CID 20640902) is not available.
What is the SMILES notation for CID 20640902?
The canonical SMILES for CID 20640902 is [Si]C1CC2CC1C1C2CC2OC21.
What is the InChIKey of CID 20640902?
The InChIKey is NTYBJOILQJFZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13OSi/c12-8-2-4-1-6(8)9-5(4)3-7-10(9)11-7/h4-10H,1-3H2.
What are the key properties of CID 20640902?
CID 20640902 has a molecular weight of 177.30 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20640902 is sourced from PubChem (CID 20640902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).