5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one

C18H32O2Si — CID 100993869

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
SMILESCCCC1=C2CC(CO[Si](C)(C)C(C)(C)C)CC2CC1=O
InChIInChI=1S/C18H32O2Si/c1-7-8-15-16-10-13(9-14(16)11-17(15)19)12-20-21(5,6)18(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyVOXOUYRDWBSEED-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.10
Rot. Bonds5

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one (PubChem CID 100993869) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
PubChem CID100993869
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
SMILESCCCC1=C2CC(CO[Si](C)(C)C(C)(C)C)CC2CC1=O
InChIInChI=1S/C18H32O2Si/c1-7-8-15-16-10-13(9-14(16)11-17(15)19)12-20-21(5,6)18(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyVOXOUYRDWBSEED-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one 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 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one (CID 100993869) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one is CCCC1=C2CC(CO[Si](C)(C)C(C)(C)C)CC2CC1=O.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The InChIKey is VOXOUYRDWBSEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-7-8-15-16-10-13(9-14(16)11-17(15)19)12-20-21(5,6)18(2,3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one has a molecular weight of 308.54 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one is sourced from PubChem (CID 100993869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).