2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid

C10H12O5 — CID 173353143

IUPAC2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid
SMILESC#CCOC(=O)OCCC=C(C)C(=O)O
InChIInChI=1S/C10H12O5/c1-3-6-14-10(13)15-7-4-5-8(2)9(11)12/h1,5H,4,6-7H2,2H3,(H,11,12)
InChIKeyXZQRIQUWPNYMKP-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.19
Rot. Bonds5

About 2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid

2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid (PubChem CID 173353143) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid.

Molecular Properties

Compound Name2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid
PubChem CID173353143
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid
SMILESC#CCOC(=O)OCCC=C(C)C(=O)O
InChIInChI=1S/C10H12O5/c1-3-6-14-10(13)15-7-4-5-8(2)9(11)12/h1,5H,4,6-7H2,2H3,(H,11,12)
InChIKeyXZQRIQUWPNYMKP-UHFFFAOYSA-N
XLogP1.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid
CID 56976246
5-(2-chloropropanoyloxy)-2-methylpent-2-enoic acid
CID 173221396
2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate
CID 71403471
2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 19937714
2-methyl-5-sulfanyloxypent-2-enoic acid
CID 57297654
5-(3-chloropropanoyloxy)-2-methylpent-2-enoic acid
CID 90742371
hexyl prop-2-ynyl carbonate
CID 22074798
2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
CID 123853620
bis(prop-2-ynyl) carbonate;butane-1,4-diol
CID 118455837
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
5-butan-2-yloxy-2-methylpent-2-enoic acid
CID 57236242
2-methyl-6-(2-methylbut-2-enoyloxy)hex-2-enoic acid
CID 175363881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid?
The IUPAC name of 2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid (CID 173353143) is 2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid.
What is the SMILES notation for 2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid?
The canonical SMILES for 2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid is C#CCOC(=O)OCCC=C(C)C(=O)O.
What is the InChIKey of 2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid?
The InChIKey is XZQRIQUWPNYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-6-14-10(13)15-7-4-5-8(2)9(11)12/h1,5H,4,6-7H2,2H3,(H,11,12).
What are the key properties of 2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid?
2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid has a molecular weight of 212.20 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid is sourced from PubChem (CID 173353143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).