[(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol

C15H24O3Si — CID 87267186

IUPAC[(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@@H](/C=C/C=C/C#C[Si](C)(C)C)O1
InChIInChI=1S/C15H24O3Si/c1-15(2)17-13(14(12-16)18-15)10-8-6-7-9-11-19(3,4)5/h6-8,10,13-14,16H,12H2,1-5H3/b7-6+,10-8+/t13-,14+/m1/s1
InChIKeyLCHGULXUBILIGF-FOASLXJTSA-N
MW280.44 g/mol
LogP2.49
Rot. Bonds3

About [(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol

[(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol (PubChem CID 87267186) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is [(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol
PubChem CID87267186
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name[(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@@H](/C=C/C=C/C#C[Si](C)(C)C)O1
InChIInChI=1S/C15H24O3Si/c1-15(2)17-13(14(12-16)18-15)10-8-6-7-9-11-19(3,4)5/h6-8,10,13-14,16H,12H2,1-5H3/b7-6+,10-8+/t13-,14+/m1/s1
InChIKeyLCHGULXUBILIGF-FOASLXJTSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol (CID 87267186) is [(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@@H](CO)[C@@H](/C=C/C=C/C#C[Si](C)(C)C)O1.
What is the InChIKey of [(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is LCHGULXUBILIGF-FOASLXJTSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-15(2)17-13(14(12-16)18-15)10-8-6-7-9-11-19(3,4)5/h6-8,10,13-14,16H,12H2,1-5H3/b7-6+,10-8+/t13-,14+/m1/s1.
What are the key properties of [(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol?
[(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 280.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-2,2-dimethyl-5-[(1E,3E)-6-trimethylsilylhexa-1,3-dien-5-ynyl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 87267186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).