1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane

C19H40O2Si — CID 168875222

IUPAC1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane
SMILESCCCCCCCC(C1(CC)OCCCO1)[Si](C)(C)CCC
InChIInChI=1S/C19H40O2Si/c1-6-9-10-11-12-14-18(22(4,5)17-7-2)19(8-3)20-15-13-16-21-19/h18H,6-17H2,1-5H3
InChIKeyJAGVJPMROKNCRE-UHFFFAOYSA-N
MW328.61 g/mol
LogP6.38
Rot. Bonds11

About 1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane

1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane (PubChem CID 168875222) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane.

Molecular Properties

Compound Name1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane
PubChem CID168875222
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Name1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane
SMILESCCCCCCCC(C1(CC)OCCCO1)[Si](C)(C)CCC
InChIInChI=1S/C19H40O2Si/c1-6-9-10-11-12-14-18(22(4,5)17-7-2)19(8-3)20-15-13-16-21-19/h18H,6-17H2,1-5H3
InChIKeyJAGVJPMROKNCRE-UHFFFAOYSA-N
XLogP6.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloro-[1-(2-ethyl-1,3-dioxan-2-yl)butyl]-propylsilane
CID 141250407
2-hexyl-2-(2-methylpropyl)-1,3-dioxane
CID 89440656
dodecan-2-yl(trimethyl)silane
CID 11425039
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-octyl-2-propan-2-yl-1,3-dioxolane
CID 89439846
2-decyl-2-propan-2-yl-1,3-dioxolane
CID 89439062
dimethyl-(2-nonadecan-2-yloxyoxan-2-yl)silane
CID 173200522
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane
CID 143254980
2-pent-3-en-2-yl-2-pentyl-1,3-dioxane
CID 70159714
N-nonan-2-ylcyclohexanamine
CID 43129679

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane?
The IUPAC name of 1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane (CID 168875222) is 1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane.
What is the SMILES notation for 1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane?
The canonical SMILES for 1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane is CCCCCCCC(C1(CC)OCCCO1)[Si](C)(C)CCC.
What is the InChIKey of 1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane?
The InChIKey is JAGVJPMROKNCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-6-9-10-11-12-14-18(22(4,5)17-7-2)19(8-3)20-15-13-16-21-19/h18H,6-17H2,1-5H3.
What are the key properties of 1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane?
1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane has a molecular weight of 328.61 g/mol, XLogP of 6.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-dioxan-2-yl)octyl-dimethyl-propylsilane is sourced from PubChem (CID 168875222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).