methyl 6-prop-2-enoyloxyhexanoate

C10H16O4 — CID 15936995

IUPACmethyl 6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCCCC(=O)OC
InChIInChI=1S/C10H16O4/c1-3-9(11)14-8-6-4-5-7-10(12)13-2/h3H,1,4-8H2,2H3
InChIKeyIPEJOLYCYSTCGZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds7

About methyl 6-prop-2-enoyloxyhexanoate

methyl 6-prop-2-enoyloxyhexanoate (PubChem CID 15936995) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 6-prop-2-enoyloxyhexanoate.

Molecular Properties

Compound Namemethyl 6-prop-2-enoyloxyhexanoate
PubChem CID15936995
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCCCC(=O)OC
InChIInChI=1S/C10H16O4/c1-3-9(11)14-8-6-4-5-7-10(12)13-2/h3H,1,4-8H2,2H3
InChIKeyIPEJOLYCYSTCGZ-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
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

1,6-Hexanediol diacrylate
CID 25644
Allyl caproate
CID 31266
Allyl Heptanoate
CID 8878
Hexyl acrylate
CID 17259
Hexanedioic acid, 1,6-di-2-propen-1-yl ester
CID 18139
2-(Acryloyloxy)ethyl 6-hydroxyhexanoate
CID 3018935
Hexanoic acid, 2-butenyl ester
CID 5369196
Diallyl pimelate
CID 243220
Methyl 3-fluoro-6-prop-2-enoyloxyhexanoate
CID 154715261
6-(Acryloyloxy)hexanoic acid
CID 15936996
Bis[2-(acryloyloxy)ethyl] hexanedioate
CID 53896682
Oxydi(ethane-2,1-diyl) bis{6-[(prop-2-enoyl)oxy]hexanoate}
CID 58807582

Frequently Asked Questions

What is the IUPAC name of methyl 6-prop-2-enoyloxyhexanoate?
The IUPAC name of methyl 6-prop-2-enoyloxyhexanoate (CID 15936995) is methyl 6-prop-2-enoyloxyhexanoate.
What is the SMILES notation for methyl 6-prop-2-enoyloxyhexanoate?
The canonical SMILES for methyl 6-prop-2-enoyloxyhexanoate is C=CC(=O)OCCCCCC(=O)OC.
What is the InChIKey of methyl 6-prop-2-enoyloxyhexanoate?
The InChIKey is IPEJOLYCYSTCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-9(11)14-8-6-4-5-7-10(12)13-2/h3H,1,4-8H2,2H3.
What are the key properties of methyl 6-prop-2-enoyloxyhexanoate?
methyl 6-prop-2-enoyloxyhexanoate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-prop-2-enoyloxyhexanoate is sourced from PubChem (CID 15936995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).