1,3-diethoxy-2-nitrosopropane

C7H15NO3 — CID 123346584

IUPAC1,3-diethoxy-2-nitrosopropane
SMILESCCOCC(COCC)N=O
InChIInChI=1S/C7H15NO3/c1-3-10-5-7(8-9)6-11-4-2/h7H,3-6H2,1-2H3
InChIKeyKOHOYCZSFOETHC-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.19
Rot. Bonds7

About 1,3-diethoxy-2-nitrosopropane

1,3-diethoxy-2-nitrosopropane (PubChem CID 123346584) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1,3-diethoxy-2-nitrosopropane.

Molecular Properties

Compound Name1,3-diethoxy-2-nitrosopropane
PubChem CID123346584
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name1,3-diethoxy-2-nitrosopropane
SMILESCCOCC(COCC)N=O
InChIInChI=1S/C7H15NO3/c1-3-10-5-7(8-9)6-11-4-2/h7H,3-6H2,1-2H3
InChIKeyKOHOYCZSFOETHC-UHFFFAOYSA-N
XLogP1.19
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine
CID 135244918
(2R)-1,2-diethoxypropane
CID 92973991
disodium;ethoxyethane
CID 23107014
2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
CID 87533992
1-ethoxy-2-isocyanatopropane
CID 63109852
1-ethoxypropan-2-ylphosphane
CID 89068231
ethoxyethane
CID 19002445
ethoxyethane
CID 18694919
1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane
CID 177367826
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol
CID 87485904
calcium;sodium;ethoxyethane;hydride
CID 173354921

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-2-nitrosopropane?
The IUPAC name of 1,3-diethoxy-2-nitrosopropane (CID 123346584) is 1,3-diethoxy-2-nitrosopropane.
What is the SMILES notation for 1,3-diethoxy-2-nitrosopropane?
The canonical SMILES for 1,3-diethoxy-2-nitrosopropane is CCOCC(COCC)N=O.
What is the InChIKey of 1,3-diethoxy-2-nitrosopropane?
The InChIKey is KOHOYCZSFOETHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-10-5-7(8-9)6-11-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 1,3-diethoxy-2-nitrosopropane?
1,3-diethoxy-2-nitrosopropane has a molecular weight of 161.20 g/mol, XLogP of 1.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-2-nitrosopropane is sourced from PubChem (CID 123346584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).