(4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde

C24H44O2Si — CID 146166908

About (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde

(4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde (PubChem CID 146166908) has the molecular formula C24H44O2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde.

Molecular Properties

• Compound Name: (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde
• PubChem CID: 146166908
• Molecular Formula: C24H44O2Si
• Molecular Weight: 392.70 g/mol
• Exact Mass: 392.31
• IUPAC Name: (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde
• SMILES: CC1=C(C=O)[C@@]2(C)CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)[C@@H]2CC1
• InChI: InChI=1S/C24H44O2Si/c1-16(2)27(17(3)4,18(5)6)26-22-13-14-24(10)20(15-25)19(7)11-12-21(24)23(22,8)9/h15-18,21-22H,11-14H2,1-10H3/t21-,22-,24+/m0/s1
• InChIKey: ILAANAKXKHYOBA-WPFOTENUSA-N
• XLogP: 7.30
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.70
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?

The IUPAC name of (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde (CID 146166908) is (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde.

What is the SMILES notation for (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?

The canonical SMILES for (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde is CC1=C(C=O)[C@@]2(C)CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)[C@@H]2CC1.

What is the InChIKey of (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?

The InChIKey is ILAANAKXKHYOBA-WPFOTENUSA-N. The full InChI is InChI=1S/C24H44O2Si/c1-16(2)27(17(3)4,18(5)6)26-22-13-14-24(10)20(15-25)19(7)11-12-21(24)23(22,8)9/h15-18,21-22H,11-14H2,1-10H3/t21-,22-,24+/m0/s1.

What are the key properties of (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?

(4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde has a molecular weight of 392.70 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 146166908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).