(2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol

C18H34OSi — CID 11483274

About (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol

(2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol (PubChem CID 11483274) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol
• PubChem CID: 11483274
• Molecular Formula: C18H34OSi
• Molecular Weight: 294.56 g/mol
• Exact Mass: 294.24
• IUPAC Name: (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol
• SMILES: CC1=C2C[C@H]([C@H](C)CO)CC[C@@]2(C)[C@@H]([Si](C)(C)C)CC1
• InChI: InChI=1S/C18H34OSi/c1-13-7-8-17(20(4,5)6)18(3)10-9-15(11-16(13)18)14(2)12-19/h14-15,17,19H,7-12H2,1-6H3/t14-,15-,17+,18-/m1/s1
• InChIKey: XBGPFSZGVWNVJS-XYVMCAHJSA-N
• XLogP: 5.24
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	294.56
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

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 (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol?

The IUPAC name of (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol (CID 11483274) is (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol.

What is the SMILES notation for (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol?

The canonical SMILES for (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol is CC1=C2C[C@H]([C@H](C)CO)CC[C@@]2(C)[C@@H]([Si](C)(C)C)CC1.

What is the InChIKey of (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol?

The InChIKey is XBGPFSZGVWNVJS-XYVMCAHJSA-N. The full InChI is InChI=1S/C18H34OSi/c1-13-7-8-17(20(4,5)6)18(3)10-9-15(11-16(13)18)14(2)12-19/h14-15,17,19H,7-12H2,1-6H3/t14-,15-,17+,18-/m1/s1.

What are the key properties of (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol?

(2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol has a molecular weight of 294.56 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 11483274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).