2-ethylbutyl prop-2-enoate

C9H16O2 — CID 19855

IUPAC2-ethylbutyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)CC
InChIInChI=1S/C9H16O2/c1-4-8(5-2)7-11-9(10)6-3/h6,8H,3-5,7H2,1-2H3
InChIKeyJGRXEBOFWPLEAV-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds5

About 2-ethylbutyl prop-2-enoate

2-ethylbutyl prop-2-enoate (PubChem CID 19855) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-ethylbutyl prop-2-enoate.

Molecular Properties

Compound Name2-ethylbutyl prop-2-enoate
PubChem CID19855
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-ethylbutyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)CC
InChIInChI=1S/C9H16O2/c1-4-8(5-2)7-11-9(10)6-3/h6,8H,3-5,7H2,1-2H3
InChIKeyJGRXEBOFWPLEAV-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexyl acrylate
CID 7636
Isobutyl acrylate
CID 7819
Allyl 2-ethylbutyrate
CID 61408
Pentyl acrylate
CID 76345
2-Methylbutyl acrylate
CID 162070
3-Methyl-1,5-pentanediyl diacrylate
CID 6454819
Isopentyl acrylate
CID 77920
2-Butenoic acid, 3-methylbutyl ester
CID 117478
Isopentyl 2-butenoate
CID 5463065
3,5,5-Trimethylhexyl acrylate
CID 4391003
4-Methylpentyl acrylate
CID 78823
2-Butenedioic acid (2Z)-, 1,4-bis(2-ethylbutyl) ester
CID 6437184

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl prop-2-enoate?
The IUPAC name of 2-ethylbutyl prop-2-enoate (CID 19855) is 2-ethylbutyl prop-2-enoate.
What is the SMILES notation for 2-ethylbutyl prop-2-enoate?
The canonical SMILES for 2-ethylbutyl prop-2-enoate is C=CC(=O)OCC(CC)CC.
What is the InChIKey of 2-ethylbutyl prop-2-enoate?
The InChIKey is JGRXEBOFWPLEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8(5-2)7-11-9(10)6-3/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 2-ethylbutyl prop-2-enoate?
2-ethylbutyl prop-2-enoate has a molecular weight of 156.22 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl prop-2-enoate is sourced from PubChem (CID 19855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).