1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane

C16H32OSi — CID 138972512

IUPAC1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane
SMILESCCCCCCCCCCC12OCC1C[Si]2(C)C
InChIInChI=1S/C16H32OSi/c1-4-5-6-7-8-9-10-11-12-16-15(13-17-16)14-18(16,2)3/h15H,4-14H2,1-3H3
InChIKeyXZPMOAQHWGQPCG-UHFFFAOYSA-N
MW268.52 g/mol
LogP5.16
Rot. Bonds9

About 1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane

1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane (PubChem CID 138972512) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is 1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane
PubChem CID138972512
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane
SMILESCCCCCCCCCCC12OCC1C[Si]2(C)C
InChIInChI=1S/C16H32OSi/c1-4-5-6-7-8-9-10-11-12-16-15(13-17-16)14-18(16,2)3/h15H,4-14H2,1-3H3
InChIKeyXZPMOAQHWGQPCG-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.16
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'}

Analyze 1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane?
The IUPAC name of 1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane (CID 138972512) is 1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane.
What is the SMILES notation for 1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane?
The canonical SMILES for 1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane is CCCCCCCCCCC12OCC1C[Si]2(C)C.
What is the InChIKey of 1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane?
The InChIKey is XZPMOAQHWGQPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-4-5-6-7-8-9-10-11-12-16-15(13-17-16)14-18(16,2)3/h15H,4-14H2,1-3H3.
What are the key properties of 1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane?
1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane has a molecular weight of 268.52 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-6,6-dimethyl-2-oxa-6-silabicyclo[2.2.0]hexane is sourced from PubChem (CID 138972512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).