hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane

C16H26O3Si — CID 71170874

IUPAChydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane
SMILESCC(C)(CC1COC(c2ccccc2)OC1)[Si](C)(C)O
InChIInChI=1S/C16H26O3Si/c1-16(2,20(3,4)17)10-13-11-18-15(19-12-13)14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3
InChIKeySSQRHUFTHQMLDH-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.72
Rot. Bonds4

About hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane

hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane (PubChem CID 71170874) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane
PubChem CID71170874
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Namehydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane
SMILESCC(C)(CC1COC(c2ccccc2)OC1)[Si](C)(C)O
InChIInChI=1S/C16H26O3Si/c1-16(2,20(3,4)17)10-13-11-18-15(19-12-13)14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3
InChIKeySSQRHUFTHQMLDH-UHFFFAOYSA-N
XLogP3.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane?
The IUPAC name of hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane (CID 71170874) is hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane.
What is the SMILES notation for hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane?
The canonical SMILES for hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane is CC(C)(CC1COC(c2ccccc2)OC1)[Si](C)(C)O.
What is the InChIKey of hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane?
The InChIKey is SSQRHUFTHQMLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-16(2,20(3,4)17)10-13-11-18-15(19-12-13)14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3.
What are the key properties of hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane?
hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane has a molecular weight of 294.47 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 hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane is sourced from PubChem (CID 71170874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).