6-[[hydroxy(methoxy)methyl]amino]hexyl formate

C9H19NO4 — CID 157143891

IUPAC6-[[hydroxy(methoxy)methyl]amino]hexyl formate
SMILESCOC(O)NCCCCCCOC=O
InChIInChI=1S/C9H19NO4/c1-13-9(12)10-6-4-2-3-5-7-14-8-11/h8-10,12H,2-7H2,1H3
InChIKeyGEZBMVPURRAZKG-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.23
Rot. Bonds10

About 6-[[hydroxy(methoxy)methyl]amino]hexyl formate

6-[[hydroxy(methoxy)methyl]amino]hexyl formate (PubChem CID 157143891) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 6-[[hydroxy(methoxy)methyl]amino]hexyl formate.

Molecular Properties

Compound Name6-[[hydroxy(methoxy)methyl]amino]hexyl formate
PubChem CID157143891
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name6-[[hydroxy(methoxy)methyl]amino]hexyl formate
SMILESCOC(O)NCCCCCCOC=O
InChIInChI=1S/C9H19NO4/c1-13-9(12)10-6-4-2-3-5-7-14-8-11/h8-10,12H,2-7H2,1H3
InChIKeyGEZBMVPURRAZKG-UHFFFAOYSA-N
XLogP0.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

12-(1-methoxyethoxy)dodecyl formate
CID 87852250
11-hydroxyheptadecyl formate
CID 135177819
hexacosyl formate
CID 87446465
decyl formate;hydrochloride
CID 174405844
CID 162323226
CID 162323226
13-(2-methoxyethoxy)tridecyl formate
CID 87852732
methyl 4-formyloxybutanoate
CID 88643911
5-formyloxypentyl acetate
CID 87520008
2-(5-hydroxypentylamino)ethyl formate
CID 138728311
4-hydroxyoctyl formate
CID 134918328
3-(butylamino)propyl formate
CID 87316464
8-formyloxyoctanoic acid
CID 123773402

Frequently Asked Questions

What is the IUPAC name of 6-[[hydroxy(methoxy)methyl]amino]hexyl formate?
The IUPAC name of 6-[[hydroxy(methoxy)methyl]amino]hexyl formate (CID 157143891) is 6-[[hydroxy(methoxy)methyl]amino]hexyl formate.
What is the SMILES notation for 6-[[hydroxy(methoxy)methyl]amino]hexyl formate?
The canonical SMILES for 6-[[hydroxy(methoxy)methyl]amino]hexyl formate is COC(O)NCCCCCCOC=O.
What is the InChIKey of 6-[[hydroxy(methoxy)methyl]amino]hexyl formate?
The InChIKey is GEZBMVPURRAZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-13-9(12)10-6-4-2-3-5-7-14-8-11/h8-10,12H,2-7H2,1H3.
What are the key properties of 6-[[hydroxy(methoxy)methyl]amino]hexyl formate?
6-[[hydroxy(methoxy)methyl]amino]hexyl formate has a molecular weight of 205.25 g/mol, XLogP of 0.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[hydroxy(methoxy)methyl]amino]hexyl formate is sourced from PubChem (CID 157143891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).