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

C18H36O4Si — CID 11393807

IUPAC1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(C)[Si](OCCC(=O)C[C@H]1COC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C18H36O4Si/c1-13(2)23(14(3)4,15(5)6)21-10-9-16(19)11-17-12-20-18(7,8)22-17/h13-15,17H,9-12H2,1-8H3/t17-/m0/s1
InChIKeyUSYWJLLPLRTEIF-KRWDZBQOSA-N
MW344.57 g/mol
LogP4.68
Rot. Bonds9

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

1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one (PubChem CID 11393807) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one
PubChem CID11393807
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(C)[Si](OCCC(=O)C[C@H]1COC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C18H36O4Si/c1-13(2)23(14(3)4,15(5)6)21-10-9-16(19)11-17-12-20-18(7,8)22-17/h13-15,17H,9-12H2,1-8H3/t17-/m0/s1
InChIKeyUSYWJLLPLRTEIF-KRWDZBQOSA-N
XLogP4.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one?
The IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one (CID 11393807) is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one is CC(C)[Si](OCCC(=O)C[C@H]1COC(C)(C)O1)(C(C)C)C(C)C.
What is the InChIKey of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one?
The InChIKey is USYWJLLPLRTEIF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-13(2)23(14(3)4,15(5)6)21-10-9-16(19)11-17-12-20-18(7,8)22-17/h13-15,17H,9-12H2,1-8H3/t17-/m0/s1.
What are the key properties of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one?
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one has a molecular weight of 344.57 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one is sourced from PubChem (CID 11393807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).