2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate

C14H22O5 — CID 87254151

IUPAC2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CO1.C=C(CCCC)C(=O)O
InChIInChI=1S/C7H10O3.C7H12O2/c1-5(2)7(8)10-4-6-3-9-6;1-3-4-5-6(2)7(8)9/h6H,1,3-4H2,2H3;2-5H2,1H3,(H,8,9)
InChIKeyAZFUIZMUSJCVCV-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.32
Rot. Bonds7

About 2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate

2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate (PubChem CID 87254151) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
PubChem CID87254151
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CO1.C=C(CCCC)C(=O)O
InChIInChI=1S/C7H10O3.C7H12O2/c1-5(2)7(8)10-4-6-3-9-6;1-3-4-5-6(2)7(8)9/h6H,1,3-4H2,2H3;2-5H2,1H3,(H,8,9)
InChIKeyAZFUIZMUSJCVCV-UHFFFAOYSA-N
XLogP2.32
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 162207786
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
oxiran-2-ylmethyl 2-methylidenetetradecanoate
CID 22459422
2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid
CID 175461208
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
butyl prop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87732224
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
2-methylidene-4-(oxiran-2-yl)butanoic acid;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 87439948
ethyl acetate;methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174820350
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 6454134

Frequently Asked Questions

What is the IUPAC name of 2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate (CID 87254151) is 2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CO1.C=C(CCCC)C(=O)O.
What is the InChIKey of 2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The InChIKey is AZFUIZMUSJCVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C7H12O2/c1-5(2)7(8)10-4-6-3-9-6;1-3-4-5-6(2)7(8)9/h6H,1,3-4H2,2H3;2-5H2,1H3,(H,8,9).
What are the key properties of 2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate?
2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate has a molecular weight of 270.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87254151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).