[(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane

C18H38O2Si — CID 89367116

IUPAC[(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@H](C)[C@@H](CCCO[Si](C)(C)C(C)(C)C)OCCCC
InChIInChI=1S/C18H38O2Si/c1-9-11-14-19-17(16(3)10-2)13-12-15-20-21(7,8)18(4,5)6/h10,16-17H,2,9,11-15H2,1,3-8H3/t16-,17+/m0/s1
InChIKeySJTDBJCTFWVNDB-DLBZAZTESA-N
MW314.59 g/mol
LogP5.80
Rot. Bonds11

About [(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane

[(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane (PubChem CID 89367116) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is [(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane
PubChem CID89367116
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name[(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@H](C)[C@@H](CCCO[Si](C)(C)C(C)(C)C)OCCCC
InChIInChI=1S/C18H38O2Si/c1-9-11-14-19-17(16(3)10-2)13-12-15-20-21(7,8)18(4,5)6/h10,16-17H,2,9,11-15H2,1,3-8H3/t16-,17+/m0/s1
InChIKeySJTDBJCTFWVNDB-DLBZAZTESA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.80
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 [(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane (CID 89367116) is [(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane is C=C[C@H](C)[C@@H](CCCO[Si](C)(C)C(C)(C)C)OCCCC.
What is the InChIKey of [(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is SJTDBJCTFWVNDB-DLBZAZTESA-N. The full InChI is InChI=1S/C18H38O2Si/c1-9-11-14-19-17(16(3)10-2)13-12-15-20-21(7,8)18(4,5)6/h10,16-17H,2,9,11-15H2,1,3-8H3/t16-,17+/m0/s1.
What are the key properties of [(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane?
[(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 314.59 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 89367116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).