3-(2-dimethylsilyloxan-2-yl)prop-2-enal

C10H18O2Si — CID 175234736

IUPAC3-(2-dimethylsilyloxan-2-yl)prop-2-enal
SMILESC[SiH](C)C1(C=CC=O)CCCCO1
InChIInChI=1S/C10H18O2Si/c1-13(2)10(7-5-8-11)6-3-4-9-12-10/h5,7-8,13H,3-4,6,9H2,1-2H3
InChIKeyFDOROUASFYKPRC-UHFFFAOYSA-N
MW198.34 g/mol
LogP1.71
Rot. Bonds3

About 3-(2-dimethylsilyloxan-2-yl)prop-2-enal

3-(2-dimethylsilyloxan-2-yl)prop-2-enal (PubChem CID 175234736) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is 3-(2-dimethylsilyloxan-2-yl)prop-2-enal.

Molecular Properties

Compound Name3-(2-dimethylsilyloxan-2-yl)prop-2-enal
PubChem CID175234736
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name3-(2-dimethylsilyloxan-2-yl)prop-2-enal
SMILESC[SiH](C)C1(C=CC=O)CCCCO1
InChIInChI=1S/C10H18O2Si/c1-13(2)10(7-5-8-11)6-3-4-9-12-10/h5,7-8,13H,3-4,6,9H2,1-2H3
InChIKeyFDOROUASFYKPRC-UHFFFAOYSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-dimethylsilyloxan-2-yl)prop-2-enal?
The IUPAC name of 3-(2-dimethylsilyloxan-2-yl)prop-2-enal (CID 175234736) is 3-(2-dimethylsilyloxan-2-yl)prop-2-enal.
What is the SMILES notation for 3-(2-dimethylsilyloxan-2-yl)prop-2-enal?
The canonical SMILES for 3-(2-dimethylsilyloxan-2-yl)prop-2-enal is C[SiH](C)C1(C=CC=O)CCCCO1.
What is the InChIKey of 3-(2-dimethylsilyloxan-2-yl)prop-2-enal?
The InChIKey is FDOROUASFYKPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-13(2)10(7-5-8-11)6-3-4-9-12-10/h5,7-8,13H,3-4,6,9H2,1-2H3.
What are the key properties of 3-(2-dimethylsilyloxan-2-yl)prop-2-enal?
3-(2-dimethylsilyloxan-2-yl)prop-2-enal has a molecular weight of 198.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dimethylsilyloxan-2-yl)prop-2-enal is sourced from PubChem (CID 175234736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).