CID 169085448

C6H13O3Si — CID 169085448

IUPAC—
SMILESCCC=CO[Si](OC)OC
InChIInChI=1S/C6H13O3Si/c1-4-5-6-9-10(7-2)8-3/h5-6H,4H2,1-3H3
InChIKeyIJALKQRJANAFLF-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.20
Rot. Bonds5

About CID 169085448

CID 169085448 (PubChem CID 169085448) has the molecular formula C6H13O3Si and a molecular weight of 161.25 g/mol.

Molecular Properties

Compound NameCID 169085448
PubChem CID169085448
Molecular FormulaC6H13O3Si
Molecular Weight161.25 g/mol
Exact Mass161.06
IUPAC Name—
SMILESCCC=CO[Si](OC)OC
InChIInChI=1S/C6H13O3Si/c1-4-5-6-9-10(7-2)8-3/h5-6H,4H2,1-3H3
InChIKeyIJALKQRJANAFLF-UHFFFAOYSA-N
XLogP1.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-methoxybut-1-ene
CID 5366227
1-(2-methoxyethoxy)but-1-ene
CID 54192618
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564
1,4-bis[(E)-but-1-enoxy]butane
CID 22051874
(E)-1-ethenoxybut-1-ene
CID 173170076
(Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 102396972
(E)-1-[(Z)-but-1-enoxy]pent-1-ene
CID 173340391
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
1-methoxypent-2-ene
CID 551185
10-but-1-enoxy-10-oxodecanoic acid
CID 141244571
1-(2-chloroethoxy)but-1-ene
CID 123683593

Frequently Asked Questions

What is the IUPAC name of CID 169085448?
The IUPAC name of CID 169085448 (CID 169085448) is not available.
What is the SMILES notation for CID 169085448?
The canonical SMILES for CID 169085448 is CCC=CO[Si](OC)OC.
What is the InChIKey of CID 169085448?
The InChIKey is IJALKQRJANAFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3Si/c1-4-5-6-9-10(7-2)8-3/h5-6H,4H2,1-3H3.
What are the key properties of CID 169085448?
CID 169085448 has a molecular weight of 161.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169085448 is sourced from PubChem (CID 169085448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).