2-methyl-6-propyldec-2-enoic acid

C14H26O2 — CID 123148332

IUPAC2-methyl-6-propyldec-2-enoic acid
SMILESCCCCC(CCC)CCC=C(C)C(=O)O
InChIInChI=1S/C14H26O2/c1-4-6-10-13(8-5-2)11-7-9-12(3)14(15)16/h9,13H,4-8,10-11H2,1-3H3,(H,15,16)
InChIKeyZMXPGVNFYWCRIX-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.40
Rot. Bonds9

About 2-methyl-6-propyldec-2-enoic acid

2-methyl-6-propyldec-2-enoic acid (PubChem CID 123148332) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-6-propyldec-2-enoic acid.

Molecular Properties

Compound Name2-methyl-6-propyldec-2-enoic acid
PubChem CID123148332
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-methyl-6-propyldec-2-enoic acid
SMILESCCCCC(CCC)CCC=C(C)C(=O)O
InChIInChI=1S/C14H26O2/c1-4-6-10-13(8-5-2)11-7-9-12(3)14(15)16/h9,13H,4-8,10-11H2,1-3H3,(H,15,16)
InChIKeyZMXPGVNFYWCRIX-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-methylhentriacont-2-enoic acid
CID 141160211
ethane-1,2-diol;5-ethyl-2-methylnon-2-enoic acid
CID 173238030
5-(2-decyltetradecoxy)-2-methylpent-2-enoic acid
CID 173008907
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
2,8-dimethylhexadec-2-enoic acid
CID 90737317
5-ethyl-2-methylheptadec-2-enoic acid
CID 123385877
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
buta-1,3-diene;(E)-2-methylhept-2-enoic acid
CID 87527009
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533
2-methylhenicosa-2,12-dienoic acid
CID 73411111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propyldec-2-enoic acid?
The IUPAC name of 2-methyl-6-propyldec-2-enoic acid (CID 123148332) is 2-methyl-6-propyldec-2-enoic acid.
What is the SMILES notation for 2-methyl-6-propyldec-2-enoic acid?
The canonical SMILES for 2-methyl-6-propyldec-2-enoic acid is CCCCC(CCC)CCC=C(C)C(=O)O.
What is the InChIKey of 2-methyl-6-propyldec-2-enoic acid?
The InChIKey is ZMXPGVNFYWCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-10-13(8-5-2)11-7-9-12(3)14(15)16/h9,13H,4-8,10-11H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-6-propyldec-2-enoic acid?
2-methyl-6-propyldec-2-enoic acid has a molecular weight of 226.36 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propyldec-2-enoic acid is sourced from PubChem (CID 123148332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).