hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate

C13H24O4 — CID 102229803

IUPAChexyl 2-(2-methoxyethoxymethyl)prop-2-enoate
SMILESC=C(COCCOC)C(=O)OCCCCCC
InChIInChI=1S/C13H24O4/c1-4-5-6-7-8-17-13(14)12(2)11-16-10-9-15-3/h2,4-11H2,1,3H3
InChIKeySNWHMVNJOKVITD-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.33
Rot. Bonds11

About hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate

hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate (PubChem CID 102229803) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate.

Molecular Properties

Compound Namehexyl 2-(2-methoxyethoxymethyl)prop-2-enoate
PubChem CID102229803
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Namehexyl 2-(2-methoxyethoxymethyl)prop-2-enoate
SMILESC=C(COCCOC)C(=O)OCCCCCC
InChIInChI=1S/C13H24O4/c1-4-5-6-7-8-17-13(14)12(2)11-16-10-9-15-3/h2,4-11H2,1,3H3
InChIKeySNWHMVNJOKVITD-UHFFFAOYSA-N
XLogP2.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.33
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'}

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Related Compounds

dodecyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 87095136
heptyl 2-(2-methoxyethoxy)acetate
CID 18318708
hexyl 2-methylidenebutanoate;2-methylprop-1-ene
CID 88842326
3-aminopropyl 2-(butoxymethyl)prop-2-enoate
CID 174450867
heptyl 2-methylideneundecanoate
CID 176549260
nonyl 2-methylideneundecanoate
CID 142441213
octadecyl 2-methylideneicosanoate
CID 57219526
nonyl 2-methylidenepentanoate
CID 90751965
butyl 2-methylprop-2-enoate;1-methoxydodecane
CID 90869404
pentyl 2-(hydroxymethyl)prop-2-enoate
CID 54519324
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320

Frequently Asked Questions

What is the IUPAC name of hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate?
The IUPAC name of hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate (CID 102229803) is hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate.
What is the SMILES notation for hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate?
The canonical SMILES for hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate is C=C(COCCOC)C(=O)OCCCCCC.
What is the InChIKey of hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate?
The InChIKey is SNWHMVNJOKVITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-4-5-6-7-8-17-13(14)12(2)11-16-10-9-15-3/h2,4-11H2,1,3H3.
What are the key properties of hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate?
hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate has a molecular weight of 244.33 g/mol, XLogP of 2.33, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate is sourced from PubChem (CID 102229803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).