tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane

C40H74O5Si — CID 24873629

About tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane

tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane (PubChem CID 24873629) has the molecular formula C40H74O5Si and a molecular weight of 663.11 g/mol. Its IUPAC name is tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane
• PubChem CID: 24873629
• Molecular Formula: C40H74O5Si
• Molecular Weight: 663.11 g/mol
• Exact Mass: 662.53
• IUPAC Name: tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane
• SMILES: COCOCCC[C@@H]1/C(=C(/C)CO[Si](C)(C)C(C)(C)C)CC[C@](C)(OCOC)[C@@]1(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
• InChI: InChI=1S/C40H74O5Si/c1-32(2)19-15-20-33(3)21-16-22-34(4)23-17-26-39(9)37(24-18-28-43-30-41-11)36(25-27-40(39,10)44-31-42-12)35(5)29-45-46(13,14)38(6,7)8/h19,21,23,37H,15-18,20,22,24-31H2,1-14H3/b33-21+,34-23+,36-35-/t37-,39+,40+/m1/s1
• InChIKey: REGBHSLGQRHZQR-FPGYJYOQSA-N
• XLogP: 11.72
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.11
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane (CID 24873629) is tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane is COCOCCC[C@@H]1/C(=C(/C)CO[Si](C)(C)C(C)(C)C)CC[C@](C)(OCOC)[C@@]1(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.

What is the InChIKey of tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane?

The InChIKey is REGBHSLGQRHZQR-FPGYJYOQSA-N. The full InChI is InChI=1S/C40H74O5Si/c1-32(2)19-15-20-33(3)21-16-22-34(4)23-17-26-39(9)37(24-18-28-43-30-41-11)36(25-27-40(39,10)44-31-42-12)35(5)29-45-46(13,14)38(6,7)8/h19,21,23,37H,15-18,20,22,24-31H2,1-14H3/b33-21+,34-23+,36-35-/t37-,39+,40+/m1/s1.

What are the key properties of tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane?

tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane has a molecular weight of 663.11 g/mol, XLogP of 11.72, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2Z)-2-[(2R,3S,4S)-4-(methoxymethoxy)-2-[3-(methoxymethoxy)propyl]-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propoxy]-dimethylsilane is sourced from PubChem (CID 24873629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).