6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one

C16H28O4Si — CID 71036464

IUPAC6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(O)(C2CCCC2)[Si](C)(C)C)O1
InChIInChI=1S/C16H28O4Si/c1-15(2)19-13(10-14(17)20-15)11-16(18,21(3,4)5)12-8-6-7-9-12/h10,12,18H,6-9,11H2,1-5H3
InChIKeyPVOMOJZRLVJRKV-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.37
Rot. Bonds4

About 6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one

6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 71036464) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is 6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID71036464
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(O)(C2CCCC2)[Si](C)(C)C)O1
InChIInChI=1S/C16H28O4Si/c1-15(2)19-13(10-14(17)20-15)11-16(18,21(3,4)5)12-8-6-7-9-12/h10,12,18H,6-9,11H2,1-5H3
InChIKeyPVOMOJZRLVJRKV-UHFFFAOYSA-N
XLogP3.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
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 6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one (CID 71036464) is 6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(CC(O)(C2CCCC2)[Si](C)(C)C)O1.
What is the InChIKey of 6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is PVOMOJZRLVJRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-15(2)19-13(10-14(17)20-15)11-16(18,21(3,4)5)12-8-6-7-9-12/h10,12,18H,6-9,11H2,1-5H3.
What are the key properties of 6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one?
6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 312.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentyl-2-hydroxy-2-trimethylsilylethyl)-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 71036464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).