[(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol

C17H32O3Si — CID 132573154

IUPAC[(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol
SMILESCC(C)[Si](C#C[C@]1(CO)COC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C17H32O3Si/c1-13(2)21(14(3)4,15(5)6)10-9-17(11-18)12-19-16(7,8)20-17/h13-15,18H,11-12H2,1-8H3/t17-/m0/s1
InChIKeyYFOOLLCVZDSTQW-KRWDZBQOSA-N
MW312.53 g/mol
LogP3.72
Rot. Bonds4

About [(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol

[(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol (PubChem CID 132573154) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is [(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol
PubChem CID132573154
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name[(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol
SMILESCC(C)[Si](C#C[C@]1(CO)COC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C17H32O3Si/c1-13(2)21(14(3)4,15(5)6)10-9-17(11-18)12-19-16(7,8)20-17/h13-15,18H,11-12H2,1-8H3/t17-/m0/s1
InChIKeyYFOOLLCVZDSTQW-KRWDZBQOSA-N
XLogP3.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol (CID 132573154) is [(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol is CC(C)[Si](C#C[C@]1(CO)COC(C)(C)O1)(C(C)C)C(C)C.
What is the InChIKey of [(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is YFOOLLCVZDSTQW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-13(2)21(14(3)4,15(5)6)10-9-17(11-18)12-19-16(7,8)20-17/h13-15,18H,11-12H2,1-8H3/t17-/m0/s1.
What are the key properties of [(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol?
[(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 312.53 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2,2-dimethyl-4-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 132573154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).