prop-2-enyl 2-ethylhex-2-enoate

C11H18O2 — CID 139948290

IUPACprop-2-enyl 2-ethylhex-2-enoate
SMILESC=CCOC(=O)C(=CCCC)CC
InChIInChI=1S/C11H18O2/c1-4-7-8-10(6-3)11(12)13-9-5-2/h5,8H,2,4,6-7,9H2,1,3H3
InChIKeyWWZZAAGKJOONCD-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds6

About prop-2-enyl 2-ethylhex-2-enoate

prop-2-enyl 2-ethylhex-2-enoate (PubChem CID 139948290) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is prop-2-enyl 2-ethylhex-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-ethylhex-2-enoate
PubChem CID139948290
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameprop-2-enyl 2-ethylhex-2-enoate
SMILESC=CCOC(=O)C(=CCCC)CC
InChIInChI=1S/C11H18O2/c1-4-7-8-10(6-3)11(12)13-9-5-2/h5,8H,2,4,6-7,9H2,1,3H3
InChIKeyWWZZAAGKJOONCD-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227
prop-2-enyl 2-methylidenebutanoate
CID 12684713
(E)-2-ethylhex-2-enamide
CID 87982228
methyl 2-prop-2-enylhex-2-enoate
CID 174771854
propyl 2-ethyldodec-2-enoate
CID 175495341
prop-2-enyl 2-oxooctadecanoate
CID 140945960
(2-ethoxyacetyl) 2-ethylhex-2-enoate
CID 173257030
2-ethylhexanoyl 2-ethylhexaneperoxoate;2-ethylhex-2-enoyl 2-ethylhex-2-eneperoxoate
CID 173301217
2-methylprop-2-enoic acid;propyl 2-ethyldodec-2-enoate
CID 175495340
4-ethyl-3-methylideneoct-4-ene
CID 54376139
azane;prop-2-enyl propanoate
CID 87729437
2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate
CID 155300738

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-ethylhex-2-enoate?
The IUPAC name of prop-2-enyl 2-ethylhex-2-enoate (CID 139948290) is prop-2-enyl 2-ethylhex-2-enoate.
What is the SMILES notation for prop-2-enyl 2-ethylhex-2-enoate?
The canonical SMILES for prop-2-enyl 2-ethylhex-2-enoate is C=CCOC(=O)C(=CCCC)CC.
What is the InChIKey of prop-2-enyl 2-ethylhex-2-enoate?
The InChIKey is WWZZAAGKJOONCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-7-8-10(6-3)11(12)13-9-5-2/h5,8H,2,4,6-7,9H2,1,3H3.
What are the key properties of prop-2-enyl 2-ethylhex-2-enoate?
prop-2-enyl 2-ethylhex-2-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-ethylhex-2-enoate is sourced from PubChem (CID 139948290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).