2-but-3-enoxy-2-methylpentanoic acid

C10H18O3 — CID 114988966

IUPAC2-but-3-enoxy-2-methylpentanoic acid
SMILESC=CCCOC(C)(CCC)C(=O)O
InChIInChI=1S/C10H18O3/c1-4-6-8-13-10(3,7-5-2)9(11)12/h4H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyZAICHUBYWSKDEX-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.22
Rot. Bonds7

About 2-but-3-enoxy-2-methylpentanoic acid

2-but-3-enoxy-2-methylpentanoic acid (PubChem CID 114988966) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-but-3-enoxy-2-methylpentanoic acid.

Molecular Properties

Compound Name2-but-3-enoxy-2-methylpentanoic acid
PubChem CID114988966
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-but-3-enoxy-2-methylpentanoic acid
SMILESC=CCCOC(C)(CCC)C(=O)O
InChIInChI=1S/C10H18O3/c1-4-6-8-13-10(3,7-5-2)9(11)12/h4H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyZAICHUBYWSKDEX-UHFFFAOYSA-N
XLogP2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dodecoxy-2-methyltetradecanoic acid
CID 88959462
2-methyl-2-propyldec-9-enoic acid
CID 151821272
2-carbonochloridoyloxy-2-methylpentanoic acid
CID 57096722
2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
CID 114993097
2-but-3-enoxy-2,4-dimethyl-1-nitropentan-3-one
CID 10036781
2-(2-ethylhexoxy)-2-methylpentanoic acid
CID 114994394
2,2-dimethyl-5-pent-4-enoxypentanoic acid
CID 79114949
3-but-3-enoxy-3-methyldodec-1-ene
CID 25185090
2-bromo-2-methylhept-6-enoic acid
CID 14195750
2,2-diethylhex-5-enoic acid
CID 79006641
2-methyl-2-nonadecoxybutanoic acid
CID 88680932
2-ethoxy-2-methylnonanoic acid
CID 78969453

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-2-methylpentanoic acid?
The IUPAC name of 2-but-3-enoxy-2-methylpentanoic acid (CID 114988966) is 2-but-3-enoxy-2-methylpentanoic acid.
What is the SMILES notation for 2-but-3-enoxy-2-methylpentanoic acid?
The canonical SMILES for 2-but-3-enoxy-2-methylpentanoic acid is C=CCCOC(C)(CCC)C(=O)O.
What is the InChIKey of 2-but-3-enoxy-2-methylpentanoic acid?
The InChIKey is ZAICHUBYWSKDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-8-13-10(3,7-5-2)9(11)12/h4H,1,5-8H2,2-3H3,(H,11,12).
What are the key properties of 2-but-3-enoxy-2-methylpentanoic acid?
2-but-3-enoxy-2-methylpentanoic acid has a molecular weight of 186.25 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-2-methylpentanoic acid is sourced from PubChem (CID 114988966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).