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

C16H32O4Si — CID 150572592

IUPAC3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol
SMILESCCCO[Si](C)(CCC(O)C1CCC2OC2C1)OCCC
InChIInChI=1S/C16H32O4Si/c1-4-9-18-21(3,19-10-5-2)11-8-14(17)13-6-7-15-16(12-13)20-15/h13-17H,4-12H2,1-3H3
InChIKeyIMDNRTDQJUXDBV-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.23
Rot. Bonds10

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

3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol (PubChem CID 150572592) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol
PubChem CID150572592
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol
SMILESCCCO[Si](C)(CCC(O)C1CCC2OC2C1)OCCC
InChIInChI=1S/C16H32O4Si/c1-4-9-18-21(3,19-10-5-2)11-8-14(17)13-6-7-15-16(12-13)20-15/h13-17H,4-12H2,1-3H3
InChIKeyIMDNRTDQJUXDBV-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.23
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-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol?
The IUPAC name of 3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol (CID 150572592) is 3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol.
What is the SMILES notation for 3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol?
The canonical SMILES for 3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol is CCCO[Si](C)(CCC(O)C1CCC2OC2C1)OCCC.
What is the InChIKey of 3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol?
The InChIKey is IMDNRTDQJUXDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-4-9-18-21(3,19-10-5-2)11-8-14(17)13-6-7-15-16(12-13)20-15/h13-17H,4-12H2,1-3H3.
What are the key properties of 3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol?
3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol has a molecular weight of 316.51 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(dipropoxy)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol is sourced from PubChem (CID 150572592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).