prop-2-enoyl 2,2-dimethylpentanoate

C10H16O3 — CID 164546657

IUPACprop-2-enoyl 2,2-dimethylpentanoate
SMILESC=CC(=O)OC(=O)C(C)(C)CCC
InChIInChI=1S/C10H16O3/c1-5-7-10(3,4)9(12)13-8(11)6-2/h6H,2,5,7H2,1,3-4H3
InChIKeyBXWFGZRRVVONJK-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.07
Rot. Bonds4

About prop-2-enoyl 2,2-dimethylpentanoate

prop-2-enoyl 2,2-dimethylpentanoate (PubChem CID 164546657) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is prop-2-enoyl 2,2-dimethylpentanoate.

Molecular Properties

Compound Nameprop-2-enoyl 2,2-dimethylpentanoate
PubChem CID164546657
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameprop-2-enoyl 2,2-dimethylpentanoate
SMILESC=CC(=O)OC(=O)C(C)(C)CCC
InChIInChI=1S/C10H16O3/c1-5-7-10(3,4)9(12)13-8(11)6-2/h6H,2,5,7H2,1,3-4H3
InChIKeyBXWFGZRRVVONJK-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3,3-dimethyl-2-prop-2-enoyloxybutyl) 2,2-dimethylpentanoate
CID 88562783
prop-2-enoyl 2-butyl-2-ethenylhexanoate
CID 174599974
3-methylhexan-3-yl prop-2-enoate
CID 87498844
(3-methyl-2-oxohexan-3-yl) prop-2-enoate
CID 177124679
diprop-2-enoyl 2-ethoxy-2-methylbutanedioate
CID 174786670
methyl 2,2-dimethylpentaneperoxoate
CID 150776047
2,2-bis(prop-2-enoyloxymethyl)butyl 2,2-dimethyl-3-prop-2-enoyloxypropanoate
CID 90842874
4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
CID 141007070
acetyl prop-2-enoate;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175291581
butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083
(8-hydroxy-4-methyloctan-4-yl) prop-2-enoate
CID 174476432
(2-hydroxy-3-prop-2-enoyloxyhexan-3-yl) prop-2-enoate
CID 141398047

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 2,2-dimethylpentanoate?
The IUPAC name of prop-2-enoyl 2,2-dimethylpentanoate (CID 164546657) is prop-2-enoyl 2,2-dimethylpentanoate.
What is the SMILES notation for prop-2-enoyl 2,2-dimethylpentanoate?
The canonical SMILES for prop-2-enoyl 2,2-dimethylpentanoate is C=CC(=O)OC(=O)C(C)(C)CCC.
What is the InChIKey of prop-2-enoyl 2,2-dimethylpentanoate?
The InChIKey is BXWFGZRRVVONJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-7-10(3,4)9(12)13-8(11)6-2/h6H,2,5,7H2,1,3-4H3.
What are the key properties of prop-2-enoyl 2,2-dimethylpentanoate?
prop-2-enoyl 2,2-dimethylpentanoate has a molecular weight of 184.23 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 2,2-dimethylpentanoate is sourced from PubChem (CID 164546657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).