[2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane

C17H36OSi2 — CID 10335702

IUPAC[2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane
SMILESCCCCC1CC(C[Si](C)(C)C)=C(C[Si](C)(C)C)CO1
InChIInChI=1S/C17H36OSi2/c1-8-9-10-17-11-15(13-19(2,3)4)16(12-18-17)14-20(5,6)7/h17H,8-14H2,1-7H3
InChIKeyPDUMEXKPZHVIEM-UHFFFAOYSA-N
MW312.65 g/mol
LogP5.94
Rot. Bonds7

About [2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane

[2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane (PubChem CID 10335702) has the molecular formula C17H36OSi2 and a molecular weight of 312.65 g/mol. Its IUPAC name is [2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane
PubChem CID10335702
Molecular FormulaC17H36OSi2
Molecular Weight312.65 g/mol
Exact Mass312.23
IUPAC Name[2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane
SMILESCCCCC1CC(C[Si](C)(C)C)=C(C[Si](C)(C)C)CO1
InChIInChI=1S/C17H36OSi2/c1-8-9-10-17-11-15(13-19(2,3)4)16(12-18-17)14-20(5,6)7/h17H,8-14H2,1-7H3
InChIKeyPDUMEXKPZHVIEM-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.65
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 11653175
trimethyl-[[2-methyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl]silane
CID 10084523
Trimethyl-[[3-(trimethylsilylmethyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]methyl]silane
CID 23039784
trimethyl-[2-methylidene-5-[(2R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 89242414
trimethyl-[[2-(2-methylpropyl)-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl]silane
CID 10086909
[2-ethyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane
CID 10469147
trimethyl-[[2-propan-2-yl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl]silane
CID 10470002
[(2E,9E)-2,10-dimethyl-9-trimethylsilyl-6-oxatricyclo[9.4.0.04,8]pentadeca-1(11),2,4(8),9-tetraen-3-yl]-trimethylsilane
CID 15430735

Frequently Asked Questions

What is the IUPAC name of [2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane?
The IUPAC name of [2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane (CID 10335702) is [2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane.
What is the SMILES notation for [2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane?
The canonical SMILES for [2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane is CCCCC1CC(C[Si](C)(C)C)=C(C[Si](C)(C)C)CO1.
What is the InChIKey of [2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane?
The InChIKey is PDUMEXKPZHVIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36OSi2/c1-8-9-10-17-11-15(13-19(2,3)4)16(12-18-17)14-20(5,6)7/h17H,8-14H2,1-7H3.
What are the key properties of [2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane?
[2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane has a molecular weight of 312.65 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-4-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-5-yl]methyl-trimethylsilane is sourced from PubChem (CID 10335702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).