(1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol

C31H58O2Si2 — CID 156686177

About (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol

(1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol (PubChem CID 156686177) has the molecular formula C31H58O2Si2 and a molecular weight of 518.98 g/mol. Its IUPAC name is (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol.

Molecular Properties

• Compound Name: (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol
• PubChem CID: 156686177
• Molecular Formula: C31H58O2Si2
• Molecular Weight: 518.98 g/mol
• Exact Mass: 518.40
• IUPAC Name: (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol
• SMILES: C/C=C/C(O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](O)C/C=C\[C@H]1C[C@H]1C#C[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C31H58O2Si2/c1-15-17-29(33-34(13,14)30(8,9)10)31(11,12)28(32)19-16-18-26-22-27(26)20-21-35(23(2)3,24(4)5)25(6)7/h15-18,23-29,32H,19,22H2,1-14H3/b17-15+,18-16-/t26-,27+,28-,29?/m0/s1
• InChIKey: RQPCFSLJDNRIKI-UFMBRVGESA-N
• XLogP: 9.14
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.98
LogP ≤ 5	9.14
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol?

The IUPAC name of (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol (CID 156686177) is (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol.

What is the SMILES notation for (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol?

The canonical SMILES for (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol is C/C=C/C(O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](O)C/C=C\[C@H]1C[C@H]1C#C[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol?

The InChIKey is RQPCFSLJDNRIKI-UFMBRVGESA-N. The full InChI is InChI=1S/C31H58O2Si2/c1-15-17-29(33-34(13,14)30(8,9)10)31(11,12)28(32)19-16-18-26-22-27(26)20-21-35(23(2)3,24(4)5)25(6)7/h15-18,23-29,32H,19,22H2,1-14H3/b17-15+,18-16-/t26-,27+,28-,29?/m0/s1.

What are the key properties of (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol?

(1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol has a molecular weight of 518.98 g/mol, XLogP of 9.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,4S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]nona-1,7-dien-4-ol is sourced from PubChem (CID 156686177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).