3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol

C19H41NO5 — CID 172752148

IUPAC3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol
SMILESCCCCCCCCCCCCOC(CCO)(CCO)CC(O)NO
InChIInChI=1S/C19H41NO5/c1-2-3-4-5-6-7-8-9-10-11-16-25-19(12-14-21,13-15-22)17-18(23)20-24/h18,20-24H,2-17H2,1H3
InChIKeyKNBVTURFUXZAOI-UHFFFAOYSA-N
MW363.54 g/mol
LogP3.11
Rot. Bonds19

About 3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol

3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol (PubChem CID 172752148) has the molecular formula C19H41NO5 and a molecular weight of 363.54 g/mol. Its IUPAC name is 3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol
PubChem CID172752148
Molecular FormulaC19H41NO5
Molecular Weight363.54 g/mol
Exact Mass363.30
IUPAC Name3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol
SMILESCCCCCCCCCCCCOC(CCO)(CCO)CC(O)NO
InChIInChI=1S/C19H41NO5/c1-2-3-4-5-6-7-8-9-10-11-16-25-19(12-14-21,13-15-22)17-18(23)20-24/h18,20-24H,2-17H2,1H3
InChIKeyKNBVTURFUXZAOI-UHFFFAOYSA-N
XLogP3.11
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 53.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

10-decoxy-10-nonylnonadecane
CID 150430521
3-octoxy-3-octylundecane-1,2-diol
CID 175293124
1-(2-hexadecoxypropan-2-ylamino)propan-1-ol
CID 87259016
1,1-di(undecoxy)propane-1,2,3-triol
CID 139663662
1,1-didodecoxypropane-1,2,3-triol
CID 139979084
2-dodecoxy-2-methyltetradecane
CID 158074564
icosoxymethanediol
CID 175975847
4-hydroxy-2-methyl-2-octadecoxypentanoic acid
CID 88607524
1-dodecoxy-1-(2-hydroxyethylamino)propan-1-ol
CID 141189179
3,3-dipentoxybutan-2-one
CID 163406006
2-hexoxypropane-1,2-diol
CID 87299743
16-ethyl-16-(10-fluorodecoxy)hentriacontane
CID 139725302

Frequently Asked Questions

What is the IUPAC name of 3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol?
The IUPAC name of 3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol (CID 172752148) is 3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol.
What is the SMILES notation for 3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol?
The canonical SMILES for 3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol is CCCCCCCCCCCCOC(CCO)(CCO)CC(O)NO.
What is the InChIKey of 3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol?
The InChIKey is KNBVTURFUXZAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO5/c1-2-3-4-5-6-7-8-9-10-11-16-25-19(12-14-21,13-15-22)17-18(23)20-24/h18,20-24H,2-17H2,1H3.
What are the key properties of 3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol?
3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol has a molecular weight of 363.54 g/mol, XLogP of 3.11, 19 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol is sourced from PubChem (CID 172752148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).