6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate

C12H20O4 — CID 87786721

IUPAC6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOCC1CO1
InChIInChI=1S/C12H20O4/c1-2-12(13)15-8-6-4-3-5-7-14-9-11-10-16-11/h2,11H,1,3-10H2
InChIKeyMNBDSFLSKVZVTB-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.69
Rot. Bonds10

About 6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate

6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate (PubChem CID 87786721) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate.

Molecular Properties

Compound Name6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
PubChem CID87786721
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOCC1CO1
InChIInChI=1S/C12H20O4/c1-2-12(13)15-8-6-4-3-5-7-14-9-11-10-16-11/h2,11H,1,3-10H2
InChIKeyMNBDSFLSKVZVTB-UHFFFAOYSA-N
XLogP1.69
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(oxetan-2-ylmethoxy)butyl prop-2-enoate
CID 172840371
[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)hexoxy]propyl] prop-2-enoate
CID 154601558
[2-hydroxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propyl] prop-2-enoate
CID 22604997
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
CID 18188386
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid
CID 158133207
(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate
CID 174820193
[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate
CID 139503569
bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate
CID 88755301

Frequently Asked Questions

What is the IUPAC name of 6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate?
The IUPAC name of 6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate (CID 87786721) is 6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate.
What is the SMILES notation for 6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate?
The canonical SMILES for 6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate is C=CC(=O)OCCCCCCOCC1CO1.
What is the InChIKey of 6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate?
The InChIKey is MNBDSFLSKVZVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-12(13)15-8-6-4-3-5-7-14-9-11-10-16-11/h2,11H,1,3-10H2.
What are the key properties of 6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate?
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 1.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate is sourced from PubChem (CID 87786721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).