5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate

C10H21NO6 — CID 89005665

IUPAC5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCCCCC(C)ON(O)O
InChIInChI=1S/C10H21NO6/c1-8(2)16-10(12)15-7-5-4-6-9(3)17-11(13)14/h8-9,13-14H,4-7H2,1-3H3
InChIKeyWBJMKLIAQAGLTE-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.12
Rot. Bonds8

About 5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate

5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate (PubChem CID 89005665) has the molecular formula C10H21NO6 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate.

Molecular Properties

Compound Name5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate
PubChem CID89005665
Molecular FormulaC10H21NO6
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Name5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCCCCC(C)ON(O)O
InChIInChI=1S/C10H21NO6/c1-8(2)16-10(12)15-7-5-4-6-9(3)17-11(13)14/h8-9,13-14H,4-7H2,1-3H3
InChIKeyWBJMKLIAQAGLTE-UHFFFAOYSA-N
XLogP2.12
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methylnonyl propan-2-yl carbonate
CID 174595196
6-chlorohexyl propan-2-yl carbonate
CID 107708041
bis(8-methylnonyl) carbonate
CID 23302119
2-bromoethyl propan-2-yl carbonate
CID 103970527
[(2R)-butan-2-yl] pentyl carbonate
CID 87213019
7-hydroxyheptan-2-yl (7-hydroxy-7-methyloctyl) carbonate
CID 89169022
propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate
CID 90011533
propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate
CID 89005640
propan-2-yl 2-[2-(dihydroxyamino)oxypropoxy]acetate
CID 89005644
butan-2-yl nonyl carbonate
CID 135224877
[3-(11-methyldodecoxycarbonyloxy)cyclohexyl] propan-2-yl carbonate
CID 23065854
bis(14-methylpentadecyl) oxalate
CID 88541014

Frequently Asked Questions

What is the IUPAC name of 5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate?
The IUPAC name of 5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate (CID 89005665) is 5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate.
What is the SMILES notation for 5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate?
The canonical SMILES for 5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate is CC(C)OC(=O)OCCCCC(C)ON(O)O.
What is the InChIKey of 5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate?
The InChIKey is WBJMKLIAQAGLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO6/c1-8(2)16-10(12)15-7-5-4-6-9(3)17-11(13)14/h8-9,13-14H,4-7H2,1-3H3.
What are the key properties of 5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate?
5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate has a molecular weight of 251.28 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate is sourced from PubChem (CID 89005665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).