4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one

C13H24O4Si — CID 173056367

IUPAC4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one
SMILESC=CC(=O)C(CO)COC(CC)[SiH]1CCCCO1
InChIInChI=1S/C13H24O4Si/c1-3-12(15)11(9-14)10-16-13(4-2)18-8-6-5-7-17-18/h3,11,13-14,18H,1,4-10H2,2H3
InChIKeyMVHQRPQSSXWXQG-UHFFFAOYSA-N
MW272.42 g/mol
LogP1.22
Rot. Bonds8

About 4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one

4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one (PubChem CID 173056367) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one
PubChem CID173056367
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one
SMILESC=CC(=O)C(CO)COC(CC)[SiH]1CCCCO1
InChIInChI=1S/C13H24O4Si/c1-3-12(15)11(9-14)10-16-13(4-2)18-8-6-5-7-17-18/h3,11,13-14,18H,1,4-10H2,2H3
InChIKeyMVHQRPQSSXWXQG-UHFFFAOYSA-N
XLogP1.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one?
The IUPAC name of 4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one (CID 173056367) is 4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one.
What is the SMILES notation for 4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one?
The canonical SMILES for 4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one is C=CC(=O)C(CO)COC(CC)[SiH]1CCCCO1.
What is the InChIKey of 4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one?
The InChIKey is MVHQRPQSSXWXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-3-12(15)11(9-14)10-16-13(4-2)18-8-6-5-7-17-18/h3,11,13-14,18H,1,4-10H2,2H3.
What are the key properties of 4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one?
4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one has a molecular weight of 272.42 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one is sourced from PubChem (CID 173056367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).