3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol

C14H28O4Si — CID 150966310

IUPAC3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol
SMILESCCO[Si](C)(CCC(O)C1CCC2OC2C1)OCC
InChIInChI=1S/C14H28O4Si/c1-4-16-19(3,17-5-2)9-8-12(15)11-6-7-13-14(10-11)18-13/h11-15H,4-10H2,1-3H3
InChIKeyLNDSVXWPAVQTRB-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.45
Rot. Bonds8

About 3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol

3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol (PubChem CID 150966310) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol
PubChem CID150966310
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol
SMILESCCO[Si](C)(CCC(O)C1CCC2OC2C1)OCC
InChIInChI=1S/C14H28O4Si/c1-4-16-19(3,17-5-2)9-8-12(15)11-6-7-13-14(10-11)18-13/h11-15H,4-10H2,1-3H3
InChIKeyLNDSVXWPAVQTRB-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol?
The IUPAC name of 3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol (CID 150966310) is 3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol.
What is the SMILES notation for 3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol?
The canonical SMILES for 3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol is CCO[Si](C)(CCC(O)C1CCC2OC2C1)OCC.
What is the InChIKey of 3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol?
The InChIKey is LNDSVXWPAVQTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-4-16-19(3,17-5-2)9-8-12(15)11-6-7-13-14(10-11)18-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol?
3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol has a molecular weight of 288.46 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol is sourced from PubChem (CID 150966310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).