propan-2-yl (2R)-2-ethylbut-3-enoate

C9H16O2 — CID 101242272

IUPACpropan-2-yl (2R)-2-ethylbut-3-enoate
SMILESC=C[C@@H](CC)C(=O)OC(C)C
InChIInChI=1S/C9H16O2/c1-5-8(6-2)9(10)11-7(3)4/h5,7-8H,1,6H2,2-4H3/t8-/m0/s1
InChIKeyCQMKXLZUAGVDSM-QMMMGPOBSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds4

About propan-2-yl (2R)-2-ethylbut-3-enoate

propan-2-yl (2R)-2-ethylbut-3-enoate (PubChem CID 101242272) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is propan-2-yl (2R)-2-ethylbut-3-enoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-ethylbut-3-enoate
PubChem CID101242272
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namepropan-2-yl (2R)-2-ethylbut-3-enoate
SMILESC=C[C@@H](CC)C(=O)OC(C)C
InChIInChI=1S/C9H16O2/c1-5-8(6-2)9(10)11-7(3)4/h5,7-8H,1,6H2,2-4H3/t8-/m0/s1
InChIKeyCQMKXLZUAGVDSM-QMMMGPOBSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethylhex-5-en-3-one
CID 130029751
ethyl (2R,3R)-3-hydroxy-2-methylpent-4-enoate;propan-2-yl (2R,3R)-3-hydroxy-2-methylpent-4-enoate
CID 158770655
propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate
CID 11644004
propan-2-yl (3R)-2-hydroxy-3-methylpentanoate
CID 174795059
propan-2-yl (E)-2-prop-2-enoxybut-2-enoate
CID 25228919
propan-2-yl 2-[acetyl(prop-2-enyl)amino]butanoate
CID 84572941
penta-1,4-dien-3-yl 2-bromo-4-methylhexanoate
CID 141080671
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
propan-2-yl (2R)-3-amino-2-methylbutanoate
CID 154999103
methyl 2-ethenyl-4-methylpentanoate
CID 143585264
propan-2-yl 2-cyanobutanoate
CID 14919504
but-3-en-2-yl ethyl carbonate
CID 11137281

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-ethylbut-3-enoate?
The IUPAC name of propan-2-yl (2R)-2-ethylbut-3-enoate (CID 101242272) is propan-2-yl (2R)-2-ethylbut-3-enoate.
What is the SMILES notation for propan-2-yl (2R)-2-ethylbut-3-enoate?
The canonical SMILES for propan-2-yl (2R)-2-ethylbut-3-enoate is C=C[C@@H](CC)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2R)-2-ethylbut-3-enoate?
The InChIKey is CQMKXLZUAGVDSM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-8(6-2)9(10)11-7(3)4/h5,7-8H,1,6H2,2-4H3/t8-/m0/s1.
What are the key properties of propan-2-yl (2R)-2-ethylbut-3-enoate?
propan-2-yl (2R)-2-ethylbut-3-enoate has a molecular weight of 156.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-ethylbut-3-enoate is sourced from PubChem (CID 101242272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).