tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane

C30H60O2Si2 — CID 73212035

IUPACtert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC=C[C@H]1/C=C\CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H60O2Si2/c1-12-28(32-34(10,11)30(5,6)7)27-24-21-23-26(27)22-19-17-15-13-14-16-18-20-25-31-33(8,9)29(2,3)4/h19,21-23,26-28H,12-18,20,24-25H2,1-11H3/b22-19-/t26-,27-,28+/m1/s1
InChIKeyQTTULYFSAFKCPR-UMALEDCXSA-N
MW508.98 g/mol
LogP10.29
Rot. Bonds15

About tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane (PubChem CID 73212035) has the molecular formula C30H60O2Si2 and a molecular weight of 508.98 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane
PubChem CID73212035
Molecular FormulaC30H60O2Si2
Molecular Weight508.98 g/mol
Exact Mass508.41
IUPAC Nametert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC=C[C@H]1/C=C\CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H60O2Si2/c1-12-28(32-34(10,11)30(5,6)7)27-24-21-23-26(27)22-19-17-15-13-14-16-18-20-25-31-33(8,9)29(2,3)4/h19,21-23,26-28H,12-18,20,24-25H2,1-11H3/b22-19-/t26-,27-,28+/m1/s1
InChIKeyQTTULYFSAFKCPR-UMALEDCXSA-N
XLogP10.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.98
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane (CID 73212035) is tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC=C[C@H]1/C=C\CCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane?
The InChIKey is QTTULYFSAFKCPR-UMALEDCXSA-N. The full InChI is InChI=1S/C30H60O2Si2/c1-12-28(32-34(10,11)30(5,6)7)27-24-21-23-26(27)22-19-17-15-13-14-16-18-20-25-31-33(8,9)29(2,3)4/h19,21-23,26-28H,12-18,20,24-25H2,1-11H3/b22-19-/t26-,27-,28+/m1/s1.
What are the key properties of tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane has a molecular weight of 508.98 g/mol, XLogP of 10.29, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 73212035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).