2-butanoyloxyethyl 2-propylpent-2-enoate

C14H24O4 — CID 173000512

IUPAC2-butanoyloxyethyl 2-propylpent-2-enoate
SMILESCCC=C(CCC)C(=O)OCCOC(=O)CCC
InChIInChI=1S/C14H24O4/c1-4-7-12(8-5-2)14(16)18-11-10-17-13(15)9-6-3/h7H,4-6,8-11H2,1-3H3
InChIKeyVDCPZDSRBBNBHR-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.01
Rot. Bonds9

About 2-butanoyloxyethyl 2-propylpent-2-enoate

2-butanoyloxyethyl 2-propylpent-2-enoate (PubChem CID 173000512) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-butanoyloxyethyl 2-propylpent-2-enoate.

Molecular Properties

Compound Name2-butanoyloxyethyl 2-propylpent-2-enoate
PubChem CID173000512
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-butanoyloxyethyl 2-propylpent-2-enoate
SMILESCCC=C(CCC)C(=O)OCCOC(=O)CCC
InChIInChI=1S/C14H24O4/c1-4-7-12(8-5-2)14(16)18-11-10-17-13(15)9-6-3/h7H,4-6,8-11H2,1-3H3
InChIKeyVDCPZDSRBBNBHR-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butanoyloxyethyl butanoate;methane
CID 161018761
butanoyl 4-butanoyloxybutanoate
CID 88605153
trimethylsilyl (E)-2-propylpent-2-enoate
CID 5352357
pentyl butanoate
CID 10890
2-carboxyoxyethyl butanoate
CID 140975603
2-(2-butanoyloxyethoxy)ethyl pentanoate
CID 90142854
methane;propyl butanoate
CID 157187060
2-butanoyloxyethyl pent-2-enoate
CID 173000504
heptyl 2-ethylpent-2-enoate
CID 175495324
pentadecyl butanoate
CID 560582
CID 161369205
CID 161369205
2-methoxyethyl butanoate;tris(prop-1-ene)
CID 173481556

Frequently Asked Questions

What is the IUPAC name of 2-butanoyloxyethyl 2-propylpent-2-enoate?
The IUPAC name of 2-butanoyloxyethyl 2-propylpent-2-enoate (CID 173000512) is 2-butanoyloxyethyl 2-propylpent-2-enoate.
What is the SMILES notation for 2-butanoyloxyethyl 2-propylpent-2-enoate?
The canonical SMILES for 2-butanoyloxyethyl 2-propylpent-2-enoate is CCC=C(CCC)C(=O)OCCOC(=O)CCC.
What is the InChIKey of 2-butanoyloxyethyl 2-propylpent-2-enoate?
The InChIKey is VDCPZDSRBBNBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-7-12(8-5-2)14(16)18-11-10-17-13(15)9-6-3/h7H,4-6,8-11H2,1-3H3.
What are the key properties of 2-butanoyloxyethyl 2-propylpent-2-enoate?
2-butanoyloxyethyl 2-propylpent-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butanoyloxyethyl 2-propylpent-2-enoate is sourced from PubChem (CID 173000512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).