5-methoxyhexyl 2-methylprop-2-enoate

C11H20O3 — CID 164776175

IUPAC5-methoxyhexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC(C)OC
InChIInChI=1S/C11H20O3/c1-9(2)11(12)14-8-6-5-7-10(3)13-4/h10H,1,5-8H2,2-4H3
InChIKeyLBNNVWOYVDWPAP-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.31
Rot. Bonds7

About 5-methoxyhexyl 2-methylprop-2-enoate

5-methoxyhexyl 2-methylprop-2-enoate (PubChem CID 164776175) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-methoxyhexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-methoxyhexyl 2-methylprop-2-enoate
PubChem CID164776175
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-methoxyhexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC(C)OC
InChIInChI=1S/C11H20O3/c1-9(2)11(12)14-8-6-5-7-10(3)13-4/h10H,1,5-8H2,2-4H3
InChIKeyLBNNVWOYVDWPAP-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

6-methylheptyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 175749007
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-[10-(2-methylprop-2-enoyloxy)decyl]propanedioic acid
CID 14453192
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate
CID 20625798
[9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate
CID 23046622
2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid
CID 123260181
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527

Frequently Asked Questions

What is the IUPAC name of 5-methoxyhexyl 2-methylprop-2-enoate?
The IUPAC name of 5-methoxyhexyl 2-methylprop-2-enoate (CID 164776175) is 5-methoxyhexyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-methoxyhexyl 2-methylprop-2-enoate?
The canonical SMILES for 5-methoxyhexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCC(C)OC.
What is the InChIKey of 5-methoxyhexyl 2-methylprop-2-enoate?
The InChIKey is LBNNVWOYVDWPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)11(12)14-8-6-5-7-10(3)13-4/h10H,1,5-8H2,2-4H3.
What are the key properties of 5-methoxyhexyl 2-methylprop-2-enoate?
5-methoxyhexyl 2-methylprop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyhexyl 2-methylprop-2-enoate is sourced from PubChem (CID 164776175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).