3-(oxan-2-ylsilyloxy)propanal

C8H16O3Si — CID 173402060

IUPAC3-(oxan-2-ylsilyloxy)propanal
SMILESO=CCCO[SiH2]C1CCCCO1
InChIInChI=1S/C8H16O3Si/c9-5-3-7-11-12-8-4-1-2-6-10-8/h5,8H,1-4,6-7,12H2
InChIKeyPNKYXWKCZZXOOJ-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.20
Rot. Bonds5

About 3-(oxan-2-ylsilyloxy)propanal

3-(oxan-2-ylsilyloxy)propanal (PubChem CID 173402060) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-(oxan-2-ylsilyloxy)propanal.

Molecular Properties

Compound Name3-(oxan-2-ylsilyloxy)propanal
PubChem CID173402060
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Name3-(oxan-2-ylsilyloxy)propanal
SMILESO=CCCO[SiH2]C1CCCCO1
InChIInChI=1S/C8H16O3Si/c9-5-3-7-11-12-8-4-1-2-6-10-8/h5,8H,1-4,6-7,12H2
InChIKeyPNKYXWKCZZXOOJ-UHFFFAOYSA-N
XLogP0.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxan-2-yloxy)propanal
CID 23266269
3-(oxan-2-yloxymethoxy)propanal
CID 134987354
5-(oxepan-2-yl)pentanal
CID 57144478
oxan-2-yl(prop-2-enyl)silane
CID 123822930
2-methylbut-3-en-2-yloxymethyl(oxan-2-yl)silane
CID 173448914
cyclopropylmethyl(oxan-2-yl)silane
CID 123294411
oxan-2-ylsilylformic acid
CID 123628710
5-hydroxypentanal;oxan-2-ol
CID 16639559
2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate
CID 173483105
6-cyclopentyloxyhexanal
CID 129416066
cyclooctylmethyl(oxan-2-yl)silane
CID 123628291
nonadecan-2-yloxy(oxan-2-yl)silane
CID 123257578

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylsilyloxy)propanal?
The IUPAC name of 3-(oxan-2-ylsilyloxy)propanal (CID 173402060) is 3-(oxan-2-ylsilyloxy)propanal.
What is the SMILES notation for 3-(oxan-2-ylsilyloxy)propanal?
The canonical SMILES for 3-(oxan-2-ylsilyloxy)propanal is O=CCCO[SiH2]C1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylsilyloxy)propanal?
The InChIKey is PNKYXWKCZZXOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c9-5-3-7-11-12-8-4-1-2-6-10-8/h5,8H,1-4,6-7,12H2.
What are the key properties of 3-(oxan-2-ylsilyloxy)propanal?
3-(oxan-2-ylsilyloxy)propanal has a molecular weight of 188.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylsilyloxy)propanal is sourced from PubChem (CID 173402060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).