prop-2-enyl 2-methylpent-4-enoate

C9H14O2 — CID 59817388

IUPACprop-2-enyl 2-methylpent-4-enoate
SMILESC=CCOC(=O)C(C)CC=C
InChIInChI=1S/C9H14O2/c1-4-6-8(3)9(10)11-7-5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyZXVGLCDAPKHWMN-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.93
Rot. Bonds5

About prop-2-enyl 2-methylpent-4-enoate

prop-2-enyl 2-methylpent-4-enoate (PubChem CID 59817388) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is prop-2-enyl 2-methylpent-4-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-methylpent-4-enoate
PubChem CID59817388
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameprop-2-enyl 2-methylpent-4-enoate
SMILESC=CCOC(=O)C(C)CC=C
InChIInChI=1S/C9H14O2/c1-4-6-8(3)9(10)11-7-5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyZXVGLCDAPKHWMN-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.93
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

prop-2-enyl (2S)-3-amino-2-methylpropanoate
CID 59815575
prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl 3-cyano-2-methylpropanoate
CID 173307983
nonyl 2-methylpent-4-enoate
CID 91695095
ethane;propane;prop-2-enyl 2-methylpropanoate
CID 158123161
CID 58877383
CID 58877383
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium chloride
CID 10877479
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
(2S)-2-aminopent-4-enoic acid;ethane;(3S)-3-methylhex-5-en-2-one
CID 161452637
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
CID 153317793
prop-2-enyl 2-hydroxy-4-methylpentanoate
CID 18724155
prop-2-enyl 2-methyl-3-oxopentanoate
CID 11805176

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-methylpent-4-enoate?
The IUPAC name of prop-2-enyl 2-methylpent-4-enoate (CID 59817388) is prop-2-enyl 2-methylpent-4-enoate.
What is the SMILES notation for prop-2-enyl 2-methylpent-4-enoate?
The canonical SMILES for prop-2-enyl 2-methylpent-4-enoate is C=CCOC(=O)C(C)CC=C.
What is the InChIKey of prop-2-enyl 2-methylpent-4-enoate?
The InChIKey is ZXVGLCDAPKHWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-6-8(3)9(10)11-7-5-2/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of prop-2-enyl 2-methylpent-4-enoate?
prop-2-enyl 2-methylpent-4-enoate has a molecular weight of 154.21 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-methylpent-4-enoate is sourced from PubChem (CID 59817388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).