1-prop-2-enoxypentan-2-yl prop-2-enoate

C11H18O3 — CID 171774459

IUPAC1-prop-2-enoxypentan-2-yl prop-2-enoate
SMILESC=CCOCC(CCC)OC(=O)C=C
InChIInChI=1S/C11H18O3/c1-4-7-10(9-13-8-5-2)14-11(12)6-3/h5-6,10H,2-4,7-9H2,1H3
InChIKeyVORMEBRVEBCREK-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.09
Rot. Bonds8

About 1-prop-2-enoxypentan-2-yl prop-2-enoate

1-prop-2-enoxypentan-2-yl prop-2-enoate (PubChem CID 171774459) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-prop-2-enoxypentan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-prop-2-enoxypentan-2-yl prop-2-enoate
PubChem CID171774459
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-prop-2-enoxypentan-2-yl prop-2-enoate
SMILESC=CCOCC(CCC)OC(=O)C=C
InChIInChI=1S/C11H18O3/c1-4-7-10(9-13-8-5-2)14-11(12)6-3/h5-6,10H,2-4,7-9H2,1H3
InChIKeyVORMEBRVEBCREK-UHFFFAOYSA-N
XLogP2.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoropentan-2-yl prop-2-enoate
CID 174661468
pentadecan-4-yl prop-2-enoate
CID 543287
1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate
CID 164851657
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
tridecan-5-yl prop-2-enoate
CID 141073146
(2-amino-2-methylheptan-4-yl) prop-2-enoate
CID 175405204
nonadec-1-en-4-yl prop-2-enoate
CID 11393552
dodecan-3-yl prop-2-enoate
CID 543279
1-nonan-4-yloxypropan-2-yl prop-2-enoate
CID 87898920

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxypentan-2-yl prop-2-enoate?
The IUPAC name of 1-prop-2-enoxypentan-2-yl prop-2-enoate (CID 171774459) is 1-prop-2-enoxypentan-2-yl prop-2-enoate.
What is the SMILES notation for 1-prop-2-enoxypentan-2-yl prop-2-enoate?
The canonical SMILES for 1-prop-2-enoxypentan-2-yl prop-2-enoate is C=CCOCC(CCC)OC(=O)C=C.
What is the InChIKey of 1-prop-2-enoxypentan-2-yl prop-2-enoate?
The InChIKey is VORMEBRVEBCREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-7-10(9-13-8-5-2)14-11(12)6-3/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 1-prop-2-enoxypentan-2-yl prop-2-enoate?
1-prop-2-enoxypentan-2-yl prop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxypentan-2-yl prop-2-enoate is sourced from PubChem (CID 171774459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).