2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide

C12H26N4O4 — CID 3100698

IUPAC2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide
SMILESCCCCOCC(O)CC(CCC(=O)NN)C(=O)NN
InChIInChI=1S/C12H26N4O4/c1-2-3-6-20-8-10(17)7-9(12(19)16-14)4-5-11(18)15-13/h9-10,17H,2-8,13-14H2,1H3,(H,15,18)(H,16,19)
InChIKeyZFXMKUOGZVVUQG-UHFFFAOYSA-N
MW290.36 g/mol
LogP-1.07
Rot. Bonds11

About 2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide

2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide (PubChem CID 3100698) has the molecular formula C12H26N4O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide.

Molecular Properties

Compound Name2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide
PubChem CID3100698
Molecular FormulaC12H26N4O4
Molecular Weight290.36 g/mol
Exact Mass290.20
IUPAC Name2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide
SMILESCCCCOCC(O)CC(CCC(=O)NN)C(=O)NN
InChIInChI=1S/C12H26N4O4/c1-2-3-6-20-8-10(17)7-9(12(19)16-14)4-5-11(18)15-13/h9-10,17H,2-8,13-14H2,1H3,(H,15,18)(H,16,19)
InChIKeyZFXMKUOGZVVUQG-UHFFFAOYSA-N
XLogP-1.07
TPSA139.70 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-1.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide
CID 102254875
7-butoxy-6-hydroxy-4-methylheptan-3-one
CID 107263520
2-benzyl-4-hydroxy-5-(3-methylbutoxy)pentanehydrazide;oxalic acid
CID 128963437
4-(4-methylpentoxy)butanehydrazide
CID 63575354
4-ethyl-1-[3-(4-ethyl-2-hydroxyoctoxy)propoxy]octan-2-ol
CID 175206143
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
(2R)-1-butoxybutan-2-ol
CID 27255938
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019
2-(butoxymethyl)-N-methylpentanamide
CID 140571341
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide?
The IUPAC name of 2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide (CID 3100698) is 2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide.
What is the SMILES notation for 2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide?
The canonical SMILES for 2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide is CCCCOCC(O)CC(CCC(=O)NN)C(=O)NN.
What is the InChIKey of 2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide?
The InChIKey is ZFXMKUOGZVVUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O4/c1-2-3-6-20-8-10(17)7-9(12(19)16-14)4-5-11(18)15-13/h9-10,17H,2-8,13-14H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide?
2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide has a molecular weight of 290.36 g/mol, XLogP of -1.07, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide is sourced from PubChem (CID 3100698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).