2-methoxybutan-2-yl penta-2,4-dienoate

C10H16O3 — CID 57183195

IUPAC2-methoxybutan-2-yl penta-2,4-dienoate
SMILESC=CC=CC(=O)OC(C)(CC)OC
InChIInChI=1S/C10H16O3/c1-5-7-8-9(11)13-10(3,6-2)12-4/h5,7-8H,1,6H2,2-4H3
InChIKeyHCMYUCGUUVVWLU-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.04
Rot. Bonds5

About 2-methoxybutan-2-yl penta-2,4-dienoate

2-methoxybutan-2-yl penta-2,4-dienoate (PubChem CID 57183195) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-methoxybutan-2-yl penta-2,4-dienoate.

Molecular Properties

Compound Name2-methoxybutan-2-yl penta-2,4-dienoate
PubChem CID57183195
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-methoxybutan-2-yl penta-2,4-dienoate
SMILESC=CC=CC(=O)OC(C)(CC)OC
InChIInChI=1S/C10H16O3/c1-5-7-8-9(11)13-10(3,6-2)12-4/h5,7-8H,1,6H2,2-4H3
InChIKeyHCMYUCGUUVVWLU-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-nona-2,4,6,8-tetraenoate
CID 149162972
bis(1,1-dimethoxyethyl) (Z)-but-2-enedioate
CID 87306237
ethenyl (2E)-penta-2,4-dienoate
CID 87528503
1,1-dimethoxypropyl but-2-enoate
CID 173408111
(3E)-1-methoxyhexa-3,5-dien-2-one
CID 131241079
bis(3-methylpent-1-en-3-yl) carbonate
CID 174555873
propyl hepta-2,4,6-trienoate
CID 91134520
bis(2-methylbut-3-en-2-yl) (Z)-but-2-enedioate
CID 87169100
di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate
CID 172754861
methylsulfonyl (2Z)-penta-2,4-dienoate
CID 89441822
[(3E,4Z)-3-ethylidene-2-methylhepta-4,6-dien-2-yl] (2E,4E,6Z)-4-ethenylocta-2,4,6-trienoate
CID 143424041
methyl (4Z)-3-methylidenehepta-4,6-dienoate
CID 143290496

Frequently Asked Questions

What is the IUPAC name of 2-methoxybutan-2-yl penta-2,4-dienoate?
The IUPAC name of 2-methoxybutan-2-yl penta-2,4-dienoate (CID 57183195) is 2-methoxybutan-2-yl penta-2,4-dienoate.
What is the SMILES notation for 2-methoxybutan-2-yl penta-2,4-dienoate?
The canonical SMILES for 2-methoxybutan-2-yl penta-2,4-dienoate is C=CC=CC(=O)OC(C)(CC)OC.
What is the InChIKey of 2-methoxybutan-2-yl penta-2,4-dienoate?
The InChIKey is HCMYUCGUUVVWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-7-8-9(11)13-10(3,6-2)12-4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 2-methoxybutan-2-yl penta-2,4-dienoate?
2-methoxybutan-2-yl penta-2,4-dienoate has a molecular weight of 184.23 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybutan-2-yl penta-2,4-dienoate is sourced from PubChem (CID 57183195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).