(5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol

C34H58O2Si — CID 123326157

About (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol

(5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol (PubChem CID 123326157) has the molecular formula C34H58O2Si and a molecular weight of 526.92 g/mol. Its IUPAC name is (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol.

Molecular Properties

• Compound Name: (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol
• PubChem CID: 123326157
• Molecular Formula: C34H58O2Si
• Molecular Weight: 526.92 g/mol
• Exact Mass: 526.42
• IUPAC Name: (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol
• SMILES: C=C1C(=CC=C2CCC[C@@]3(C)C2CCC3[C@H](C)C=C[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1O
• InChI: InChI=1S/C34H58O2Si/c1-23(2)24(3)14-15-25(4)30-18-19-31-27(13-12-20-34(30,31)9)16-17-28-21-29(22-32(35)26(28)5)36-37(10,11)33(6,7)8/h14-17,23-25,29-32,35H,5,12-13,18-22H2,1-4,6-11H3/t24-,25+,29+,30?,31?,32?,34+/m0/s1
• InChIKey: QAGNTHOJEGTRBR-YGRRPDKGSA-N
• XLogP: 9.64
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.92
LogP ≤ 5	9.64
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 (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol?

The IUPAC name of (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol (CID 123326157) is (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol.

What is the SMILES notation for (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol?

The canonical SMILES for (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol is C=C1C(=CC=C2CCC[C@@]3(C)C2CCC3[C@H](C)C=C[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1O.

What is the InChIKey of (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol?

The InChIKey is QAGNTHOJEGTRBR-YGRRPDKGSA-N. The full InChI is InChI=1S/C34H58O2Si/c1-23(2)24(3)14-15-25(4)30-18-19-31-27(13-12-20-34(30,31)9)16-17-28-21-29(22-32(35)26(28)5)36-37(10,11)33(6,7)8/h14-17,23-25,29-32,35H,5,12-13,18-22H2,1-4,6-11H3/t24-,25+,29+,30?,31?,32?,34+/m0/s1.

What are the key properties of (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol?

(5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol has a molecular weight of 526.92 g/mol, XLogP of 9.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[2-[(7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol is sourced from PubChem (CID 123326157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).