CID 23322597

C12H21OSi — CID 23322597

IUPAC—
SMILESCC(C1=CCCCC1)[Si]1CCCCO1
InChIInChI=1S/C12H21OSi/c1-11(12-7-3-2-4-8-12)14-10-6-5-9-13-14/h7,11H,2-6,8-10H2,1H3
InChIKeyPGGXESUVPGGGOG-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.68
Rot. Bonds2

About CID 23322597

CID 23322597 (PubChem CID 23322597) has the molecular formula C12H21OSi and a molecular weight of 209.38 g/mol.

Molecular Properties

Compound NameCID 23322597
PubChem CID23322597
Molecular FormulaC12H21OSi
Molecular Weight209.38 g/mol
Exact Mass209.14
IUPAC Name—
SMILESCC(C1=CCCCC1)[Si]1CCCCO1
InChIInChI=1S/C12H21OSi/c1-11(12-7-3-2-4-8-12)14-10-6-5-9-13-14/h7,11H,2-6,8-10H2,1H3
InChIKeyPGGXESUVPGGGOG-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 23322597?
The IUPAC name of CID 23322597 (CID 23322597) is not available.
What is the SMILES notation for CID 23322597?
The canonical SMILES for CID 23322597 is CC(C1=CCCCC1)[Si]1CCCCO1.
What is the InChIKey of CID 23322597?
The InChIKey is PGGXESUVPGGGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21OSi/c1-11(12-7-3-2-4-8-12)14-10-6-5-9-13-14/h7,11H,2-6,8-10H2,1H3.
What are the key properties of CID 23322597?
CID 23322597 has a molecular weight of 209.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23322597 is sourced from PubChem (CID 23322597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).