6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol

C22H40O2Si — CID 135066713

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol (PubChem CID 135066713) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol.

Molecular Properties

• Compound Name: 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol
• PubChem CID: 135066713
• Molecular Formula: C22H40O2Si
• Molecular Weight: 364.65 g/mol
• Exact Mass: 364.28
• IUPAC Name: 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol
• SMILES: C=CCC1(C)C(CO[Si](C)(C)C(C)(C)C)CC(=C)C2CCCCC21O
• InChI: InChI=1S/C22H40O2Si/c1-9-13-21(6)18(16-24-25(7,8)20(3,4)5)15-17(2)19-12-10-11-14-22(19,21)23/h9,18-19,23H,1-2,10-16H2,3-8H3
• InChIKey: BSDPCLMZYKWEMC-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.65
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol?

The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol (CID 135066713) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol.

What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol?

The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol is C=CCC1(C)C(CO[Si](C)(C)C(C)(C)C)CC(=C)C2CCCCC21O.

What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol?

The InChIKey is BSDPCLMZYKWEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-9-13-21(6)18(16-24-25(7,8)20(3,4)5)15-17(2)19-12-10-11-14-22(19,21)23/h9,18-19,23H,1-2,10-16H2,3-8H3.

What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol?

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol has a molecular weight of 364.65 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 135066713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).