2-methylprop-2-enoic acid;2,4,6-trimethyldodecane

C19H38O2 — CID 157113836

IUPAC2-methylprop-2-enoic acid;2,4,6-trimethyldodecane
SMILESC=C(C)C(=O)O.CCCCCCC(C)CC(C)CC(C)C
InChIInChI=1S/C15H32.C4H6O2/c1-6-7-8-9-10-14(4)12-15(5)11-13(2)3;1-3(2)4(5)6/h13-15H,6-12H2,1-5H3;1H2,2H3,(H,5,6)
InChIKeyAHDUTAJMDCVEPK-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.31
Rot. Bonds10

About 2-methylprop-2-enoic acid;2,4,6-trimethyldodecane

2-methylprop-2-enoic acid;2,4,6-trimethyldodecane (PubChem CID 157113836) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;2,4,6-trimethyldodecane.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;2,4,6-trimethyldodecane
PubChem CID157113836
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name2-methylprop-2-enoic acid;2,4,6-trimethyldodecane
SMILESC=C(C)C(=O)O.CCCCCCC(C)CC(C)CC(C)C
InChIInChI=1S/C15H32.C4H6O2/c1-6-7-8-9-10-14(4)12-15(5)11-13(2)3;1-3(2)4(5)6/h13-15H,6-12H2,1-5H3;1H2,2H3,(H,5,6)
InChIKeyAHDUTAJMDCVEPK-UHFFFAOYSA-N
XLogP6.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;2,4,6-trimethyldodecane?
The IUPAC name of 2-methylprop-2-enoic acid;2,4,6-trimethyldodecane (CID 157113836) is 2-methylprop-2-enoic acid;2,4,6-trimethyldodecane.
What is the SMILES notation for 2-methylprop-2-enoic acid;2,4,6-trimethyldodecane?
The canonical SMILES for 2-methylprop-2-enoic acid;2,4,6-trimethyldodecane is C=C(C)C(=O)O.CCCCCCC(C)CC(C)CC(C)C.
What is the InChIKey of 2-methylprop-2-enoic acid;2,4,6-trimethyldodecane?
The InChIKey is AHDUTAJMDCVEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32.C4H6O2/c1-6-7-8-9-10-14(4)12-15(5)11-13(2)3;1-3(2)4(5)6/h13-15H,6-12H2,1-5H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;2,4,6-trimethyldodecane?
2-methylprop-2-enoic acid;2,4,6-trimethyldodecane has a molecular weight of 298.51 g/mol, XLogP of 6.31, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;2,4,6-trimethyldodecane is sourced from PubChem (CID 157113836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).