6-ethyl-6-(phenylmethoxymethyl)oxasilinane

C14H22O2Si — CID 175144224

IUPAC6-ethyl-6-(phenylmethoxymethyl)oxasilinane
SMILESCCC1(COCc2ccccc2)CCC[SiH2]O1
InChIInChI=1S/C14H22O2Si/c1-2-14(9-6-10-17-16-14)12-15-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,17H2,1H3
InChIKeyLVDXHVABKAYXTR-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.66
Rot. Bonds5

About 6-ethyl-6-(phenylmethoxymethyl)oxasilinane

6-ethyl-6-(phenylmethoxymethyl)oxasilinane (PubChem CID 175144224) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 6-ethyl-6-(phenylmethoxymethyl)oxasilinane.

Molecular Properties

Compound Name6-ethyl-6-(phenylmethoxymethyl)oxasilinane
PubChem CID175144224
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name6-ethyl-6-(phenylmethoxymethyl)oxasilinane
SMILESCCC1(COCc2ccccc2)CCC[SiH2]O1
InChIInChI=1S/C14H22O2Si/c1-2-14(9-6-10-17-16-14)12-15-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,17H2,1H3
InChIKeyLVDXHVABKAYXTR-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-2-ethyl-5-phenyl-2-(phenylmethoxymethyl)oxolane
CID 7832534
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane
CID 15293543
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane
CID 11164361
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one
CID 176589467
N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549
(2R,3R)-2-cyclohexyl-3-ethyl-2-methyl-3-(phenylmethoxymethyl)oxirane
CID 101364458
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-(phenylmethoxymethyl)oxasilinane?
The IUPAC name of 6-ethyl-6-(phenylmethoxymethyl)oxasilinane (CID 175144224) is 6-ethyl-6-(phenylmethoxymethyl)oxasilinane.
What is the SMILES notation for 6-ethyl-6-(phenylmethoxymethyl)oxasilinane?
The canonical SMILES for 6-ethyl-6-(phenylmethoxymethyl)oxasilinane is CCC1(COCc2ccccc2)CCC[SiH2]O1.
What is the InChIKey of 6-ethyl-6-(phenylmethoxymethyl)oxasilinane?
The InChIKey is LVDXHVABKAYXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-2-14(9-6-10-17-16-14)12-15-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,17H2,1H3.
What are the key properties of 6-ethyl-6-(phenylmethoxymethyl)oxasilinane?
6-ethyl-6-(phenylmethoxymethyl)oxasilinane has a molecular weight of 250.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-(phenylmethoxymethyl)oxasilinane is sourced from PubChem (CID 175144224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).