2,3-dimethyldec-2-enoic acid

C12H22O2 — CID 79729162

IUPAC2,3-dimethyldec-2-enoic acid
SMILESCCCCCCCC(C)=C(C)C(=O)O
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-10(2)11(3)12(13)14/h4-9H2,1-3H3,(H,13,14)
InChIKeyKKWYTLCNNHKTGM-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.77
Rot. Bonds7

About 2,3-dimethyldec-2-enoic acid

2,3-dimethyldec-2-enoic acid (PubChem CID 79729162) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,3-dimethyldec-2-enoic acid.

Molecular Properties

Compound Name2,3-dimethyldec-2-enoic acid
PubChem CID79729162
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2,3-dimethyldec-2-enoic acid
SMILESCCCCCCCC(C)=C(C)C(=O)O
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-10(2)11(3)12(13)14/h4-9H2,1-3H3,(H,13,14)
InChIKeyKKWYTLCNNHKTGM-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.77
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)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
9,10,11,12-tetramethyloctadeca-9,11-dienoic acid
CID 76806265
8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid
CID 76806274
(Z)-2-methyl-3-undecylbut-2-enedioic acid
CID 142696116
(E)-3-fluoro-2-methylundec-2-enoic acid
CID 87728634
(Z)-3-ethyl-2-methylhenicos-2-enoic acid
CID 87705317
8,9-dimethylhexadec-8-ene
CID 140717938
methyl 2,3-dimethyltetradec-2-enoate
CID 175495328
2-butan-2-ylideneoctanoic acid
CID 173391437
3-amino-2-methyloct-2-enoic acid
CID 173494416
3,4-dimethyltetradec-3-enoic acid
CID 141356263
3-(8-fluorooctyl)-2-methyloctadec-2-enoic acid
CID 173390355

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyldec-2-enoic acid?
The IUPAC name of 2,3-dimethyldec-2-enoic acid (CID 79729162) is 2,3-dimethyldec-2-enoic acid.
What is the SMILES notation for 2,3-dimethyldec-2-enoic acid?
The canonical SMILES for 2,3-dimethyldec-2-enoic acid is CCCCCCCC(C)=C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyldec-2-enoic acid?
The InChIKey is KKWYTLCNNHKTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-6-7-8-9-10(2)11(3)12(13)14/h4-9H2,1-3H3,(H,13,14).
What are the key properties of 2,3-dimethyldec-2-enoic acid?
2,3-dimethyldec-2-enoic acid has a molecular weight of 198.31 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyldec-2-enoic acid is sourced from PubChem (CID 79729162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).