1,3-dinitrosoheptan-2-ol

C7H14N2O3 — CID 118873606

IUPAC1,3-dinitrosoheptan-2-ol
SMILESCCCCC(N=O)C(O)CN=O
InChIInChI=1S/C7H14N2O3/c1-2-3-4-6(9-12)7(10)5-8-11/h6-7,10H,2-5H2,1H3
InChIKeyVEIWOKOOXGTPMD-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.44
Rot. Bonds7

About 1,3-dinitrosoheptan-2-ol

1,3-dinitrosoheptan-2-ol (PubChem CID 118873606) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1,3-dinitrosoheptan-2-ol.

Molecular Properties

Compound Name1,3-dinitrosoheptan-2-ol
PubChem CID118873606
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name1,3-dinitrosoheptan-2-ol
SMILESCCCCC(N=O)C(O)CN=O
InChIInChI=1S/C7H14N2O3/c1-2-3-4-6(9-12)7(10)5-8-11/h6-7,10H,2-5H2,1H3
InChIKeyVEIWOKOOXGTPMD-UHFFFAOYSA-N
XLogP1.44
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1,2-dinitrosohexane
CID 118601800
(3S,4S)-octane-3,4-diol
CID 132990515
3-nitrosooctane
CID 57157162
(Z)-6,12-dihydroxy-7,13-dinitrosooctadec-9-enal
CID 174873297
4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane
CID 146258320
6,7-diethyldodecane-5,8-diol
CID 166728697
9-(nitrosomethyl)icosane
CID 122613192
2-nitrosohexan-1-ol
CID 131969945
ethane;hexadec-7-ene;methanol;1-nitrosotridecan-2-ol
CID 155737167
hydroxy(tripentyl)phosphanium
CID 87283132
CID 172720711
CID 172720711
CID 172776718
CID 172776718

Frequently Asked Questions

What is the IUPAC name of 1,3-dinitrosoheptan-2-ol?
The IUPAC name of 1,3-dinitrosoheptan-2-ol (CID 118873606) is 1,3-dinitrosoheptan-2-ol.
What is the SMILES notation for 1,3-dinitrosoheptan-2-ol?
The canonical SMILES for 1,3-dinitrosoheptan-2-ol is CCCCC(N=O)C(O)CN=O.
What is the InChIKey of 1,3-dinitrosoheptan-2-ol?
The InChIKey is VEIWOKOOXGTPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-2-3-4-6(9-12)7(10)5-8-11/h6-7,10H,2-5H2,1H3.
What are the key properties of 1,3-dinitrosoheptan-2-ol?
1,3-dinitrosoheptan-2-ol has a molecular weight of 174.20 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dinitrosoheptan-2-ol is sourced from PubChem (CID 118873606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).