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

C34H66O2SiSn — CID 156686186

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

(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[(E)-2-tributylstannylethenyl]cyclopropyl]nona-1,7-dien-4-ol (PubChem CID 156686186) has the molecular formula C34H66O2SiSn and a molecular weight of 653.70 g/mol. Its IUPAC name is (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[(E)-2-tributylstannylethenyl]cyclopropyl]nona-1,7-dien-4-ol.

Molecular Properties

• Compound Name: (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[(E)-2-tributylstannylethenyl]cyclopropyl]nona-1,7-dien-4-ol
• PubChem CID: 156686186
• Molecular Formula: C34H66O2SiSn
• Molecular Weight: 653.70 g/mol
• Exact Mass: 654.39
• IUPAC Name: (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[(E)-2-tributylstannylethenyl]cyclopropyl]nona-1,7-dien-4-ol
• SMILES: C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](O)C/C=C\[C@H]1C[C@H]1/C=C/[Sn](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C22H39O2Si.3C4H9.Sn/c1-10-13-20(24-25(8,9)21(3,4)5)22(6,7)19(23)15-12-14-18-16-17(18)11-2;3*1-3-4-2;/h2,10-14,17-20,23H,15-16H2,1,3-9H3;3*1,3-4H2,2H3;/b11-2?,13-10+,14-12-;;;;/t17-,18+,19+,20+;;;;/m1..../s1
• InChIKey: MQBXCKAPFHXSRQ-NVMDNRNISA-N
• XLogP: 10.87
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 19
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.70
LogP ≤ 5	10.87
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 (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[(E)-2-tributylstannylethenyl]cyclopropyl]nona-1,7-dien-4-ol?

The IUPAC name of (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[(E)-2-tributylstannylethenyl]cyclopropyl]nona-1,7-dien-4-ol (CID 156686186) is (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[(E)-2-tributylstannylethenyl]cyclopropyl]nona-1,7-dien-4-ol.

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

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

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

The InChIKey is MQBXCKAPFHXSRQ-NVMDNRNISA-N. The full InChI is InChI=1S/C22H39O2Si.3C4H9.Sn/c1-10-13-20(24-25(8,9)21(3,4)5)22(6,7)19(23)15-12-14-18-16-17(18)11-2;3*1-3-4-2;/h2,10-14,17-20,23H,15-16H2,1,3-9H3;3*1,3-4H2,2H3;/b11-2?,13-10+,14-12-;;;;/t17-,18+,19+,20+;;;;/m1..../s1.

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

(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[(E)-2-tributylstannylethenyl]cyclopropyl]nona-1,7-dien-4-ol has a molecular weight of 653.70 g/mol, XLogP of 10.87, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2R)-2-[(E)-2-tributylstannylethenyl]cyclopropyl]nona-1,7-dien-4-ol is sourced from PubChem (CID 156686186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).