pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate

C12H20O3 — CID 134229849

IUPACpentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC(C)CCC
InChIInChI=1S/C12H20O3/c1-5-7-11(4)15-12(13)10(3)9-14-8-6-2/h6,11H,2-3,5,7-9H2,1,4H3
InChIKeyRVWZCFCODKCXKM-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.48
Rot. Bonds8

About pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate

pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate (PubChem CID 134229849) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Namepentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
PubChem CID134229849
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namepentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC(C)CCC
InChIInChI=1S/C12H20O3/c1-5-7-11(4)15-12(13)10(3)9-14-8-6-2/h6,11H,2-3,5,7-9H2,1,4H3
InChIKeyRVWZCFCODKCXKM-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.48
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-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229847
dodecyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 87095136
8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 165388739
pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
CID 91691726
4-prop-2-enoxybutan-2-yl acetate
CID 174472917
ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate
CID 121308140
2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 155660539
pentan-2-yl (E)-2,4-dimethylhex-2-enoate
CID 91749763
azane;pentan-2-yl acetate
CID 174372937
pentan-2-yl (2R)-2-amino-3-methylbutanoate
CID 102982424
N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide
CID 163423904
1-prop-2-enoxypentan-2-yl prop-2-enoate
CID 171774459

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate (CID 134229849) is pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate is C=CCOCC(=C)C(=O)OC(C)CCC.
What is the InChIKey of pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
The InChIKey is RVWZCFCODKCXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-5-7-11(4)15-12(13)10(3)9-14-8-6-2/h6,11H,2-3,5,7-9H2,1,4H3.
What are the key properties of pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate has a molecular weight of 212.29 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 134229849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).