3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate

C17H32O6 — CID 173181420

IUPAC3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate
SMILESCOCCOCOCCCOC(=O)C=CCCCCCCCO
InChIInChI=1S/C17H32O6/c1-20-14-15-22-16-21-12-9-13-23-17(19)10-7-5-3-2-4-6-8-11-18/h7,10,18H,2-6,8-9,11-16H2,1H3
InChIKeyUTCGLJJXZMAATM-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.45
Rot. Bonds17

About 3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate

3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate (PubChem CID 173181420) has the molecular formula C17H32O6 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate.

Molecular Properties

Compound Name3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate
PubChem CID173181420
Molecular FormulaC17H32O6
Molecular Weight332.44 g/mol
Exact Mass332.22
IUPAC Name3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate
SMILESCOCCOCOCCCOC(=O)C=CCCCCCCCO
InChIInChI=1S/C17H32O6/c1-20-14-15-22-16-21-12-9-13-23-17(19)10-7-5-3-2-4-6-8-11-18/h7,10,18H,2-6,8-9,11-16H2,1H3
InChIKeyUTCGLJJXZMAATM-UHFFFAOYSA-N
XLogP2.45
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl (E)-9-hydroxynon-2-enoate
CID 86301644
heptyl icos-2-enoate
CID 91580884
dodecyl octadec-2-enoate
CID 71338613
butyl icos-2-enoate
CID 91561454
tetradecyl tetradec-2-enoate
CID 71404583
tetratriacontyl icos-2-enoate
CID 175935411
pentadecyl icos-2-enoate
CID 175935360
bis(3-methoxypropyl) (Z)-but-2-enedioate
CID 87255789
6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-1-ol
CID 71402387
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534
(E)-12-methoxydodec-2-enoic acid
CID 6473877
(E)-10-hydroxydec-2-enoic acid
CID 5312738

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate?
The IUPAC name of 3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate (CID 173181420) is 3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate.
What is the SMILES notation for 3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate?
The canonical SMILES for 3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate is COCCOCOCCCOC(=O)C=CCCCCCCCO.
What is the InChIKey of 3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate?
The InChIKey is UTCGLJJXZMAATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O6/c1-20-14-15-22-16-21-12-9-13-23-17(19)10-7-5-3-2-4-6-8-11-18/h7,10,18H,2-6,8-9,11-16H2,1H3.
What are the key properties of 3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate?
3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate has a molecular weight of 332.44 g/mol, XLogP of 2.45, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethoxy)propyl 10-hydroxydec-2-enoate is sourced from PubChem (CID 173181420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).