1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one

C19H38O5Si — CID 173396993

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one
SMILESC[SiH](C)OC(C(O)CC(=O)CCCCC(C)(C)C)C1COC(C)(C)O1
InChIInChI=1S/C19H38O5Si/c1-18(2,3)11-9-8-10-14(20)12-15(21)17(24-25(6)7)16-13-22-19(4,5)23-16/h15-17,21,25H,8-13H2,1-7H3
InChIKeyVYDLVMYLJVLCFD-UHFFFAOYSA-N
MW374.59 g/mol
LogP3.43
Rot. Bonds10

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one (PubChem CID 173396993) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one
PubChem CID173396993
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one
SMILESC[SiH](C)OC(C(O)CC(=O)CCCCC(C)(C)C)C1COC(C)(C)O1
InChIInChI=1S/C19H38O5Si/c1-18(2,3)11-9-8-10-14(20)12-15(21)17(24-25(6)7)16-13-22-19(4,5)23-16/h15-17,21,25H,8-13H2,1-7H3
InChIKeyVYDLVMYLJVLCFD-UHFFFAOYSA-N
XLogP3.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one (CID 173396993) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one is C[SiH](C)OC(C(O)CC(=O)CCCCC(C)(C)C)C1COC(C)(C)O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one?
The InChIKey is VYDLVMYLJVLCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-18(2,3)11-9-8-10-14(20)12-15(21)17(24-25(6)7)16-13-22-19(4,5)23-16/h15-17,21,25H,8-13H2,1-7H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one has a molecular weight of 374.59 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one is sourced from PubChem (CID 173396993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).