2-methylhentriacont-2-enoic acid

C32H62O2 — CID 141160211

IUPAC2-methylhentriacont-2-enoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(C)C(=O)O
InChIInChI=1S/C32H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(2)32(33)34/h30H,3-29H2,1-2H3,(H,33,34)
InChIKeyQODPOBQGNNHMPJ-UHFFFAOYSA-N
MW478.85 g/mol
LogP11.57
Rot. Bonds28

About 2-methylhentriacont-2-enoic acid

2-methylhentriacont-2-enoic acid (PubChem CID 141160211) has the molecular formula C32H62O2 and a molecular weight of 478.85 g/mol. Its IUPAC name is 2-methylhentriacont-2-enoic acid.

Molecular Properties

Compound Name2-methylhentriacont-2-enoic acid
PubChem CID141160211
Molecular FormulaC32H62O2
Molecular Weight478.85 g/mol
Exact Mass478.47
IUPAC Name2-methylhentriacont-2-enoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(C)C(=O)O
InChIInChI=1S/C32H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(2)32(33)34/h30H,3-29H2,1-2H3,(H,33,34)
InChIKeyQODPOBQGNNHMPJ-UHFFFAOYSA-N
XLogP11.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.85
LogP ≤ 511.57
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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Related Compounds

(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
2-methylhenicosa-2,12-dienoic acid
CID 73411111
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
2-methylpentacos-2-enoic acid;prop-2-enoic acid
CID 158192542
N,N-dimethylformamide;2-methyloct-2-enoic acid
CID 161449780
(2E,11E,14E)-2-methylhenicosa-2,11,14-trienoic acid
CID 88938967
2,8-dimethylhexadec-2-enoic acid
CID 90737317
2,2-dimethylpropanoic acid;2-methyloct-2-enoic acid;hydrochloride
CID 172860299
butyl acetate;2-methylhenicos-2-enoic acid
CID 174757296

Frequently Asked Questions

What is the IUPAC name of 2-methylhentriacont-2-enoic acid?
The IUPAC name of 2-methylhentriacont-2-enoic acid (CID 141160211) is 2-methylhentriacont-2-enoic acid.
What is the SMILES notation for 2-methylhentriacont-2-enoic acid?
The canonical SMILES for 2-methylhentriacont-2-enoic acid is CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(C)C(=O)O.
What is the InChIKey of 2-methylhentriacont-2-enoic acid?
The InChIKey is QODPOBQGNNHMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(2)32(33)34/h30H,3-29H2,1-2H3,(H,33,34).
What are the key properties of 2-methylhentriacont-2-enoic acid?
2-methylhentriacont-2-enoic acid has a molecular weight of 478.85 g/mol, XLogP of 11.57, 28 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhentriacont-2-enoic acid is sourced from PubChem (CID 141160211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).