1,1-dimethyl-silacyclotridecan-7-one

C14H28OSi — CID 554403

IUPAC1,1-dimethyl-silacyclotridecan-7-one
SMILESC[Si]1(C)CCCCCCC(=O)CCCCC1
InChIInChI=1S/C14H28OSi/c1-16(2)12-8-4-3-6-10-14(15)11-7-5-9-13-16/h3-13H2,1-2H3
InChIKeyZVBBYXDVTSGDPK-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.79
Rot. Bonds

About 1,1-dimethyl-silacyclotridecan-7-one

1,1-dimethyl-silacyclotridecan-7-one (PubChem CID 554403) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 1,1-dimethyl-silacyclotridecan-7-one.

Molecular Properties

Compound Name1,1-dimethyl-silacyclotridecan-7-one
PubChem CID554403
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name1,1-dimethyl-silacyclotridecan-7-one
SMILESC[Si]1(C)CCCCCCC(=O)CCCCC1
InChIInChI=1S/C14H28OSi/c1-16(2)12-8-4-3-6-10-14(15)11-7-5-9-13-16/h3-13H2,1-2H3
InChIKeyZVBBYXDVTSGDPK-UHFFFAOYSA-N
XLogP4.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-silacyclotridecan-7-one?
The IUPAC name of 1,1-dimethyl-silacyclotridecan-7-one (CID 554403) is 1,1-dimethyl-silacyclotridecan-7-one.
What is the SMILES notation for 1,1-dimethyl-silacyclotridecan-7-one?
The canonical SMILES for 1,1-dimethyl-silacyclotridecan-7-one is C[Si]1(C)CCCCCCC(=O)CCCCC1.
What is the InChIKey of 1,1-dimethyl-silacyclotridecan-7-one?
The InChIKey is ZVBBYXDVTSGDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-16(2)12-8-4-3-6-10-14(15)11-7-5-9-13-16/h3-13H2,1-2H3.
What are the key properties of 1,1-dimethyl-silacyclotridecan-7-one?
1,1-dimethyl-silacyclotridecan-7-one has a molecular weight of 240.46 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-silacyclotridecan-7-one is sourced from PubChem (CID 554403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).