2,6-dimethyloct-7-enoic acid

C10H18O2 — CID 59229292

IUPAC2,6-dimethyloct-7-enoic acid
SMILESC=CC(C)CCCC(C)C(=O)O
InChIInChI=1S/C10H18O2/c1-4-8(2)6-5-7-9(3)10(11)12/h4,8-9H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyOAXNIISHSJPKCX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.70
Rot. Bonds6

About 2,6-dimethyloct-7-enoic acid

2,6-dimethyloct-7-enoic acid (PubChem CID 59229292) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,6-dimethyloct-7-enoic acid.

Molecular Properties

Compound Name2,6-dimethyloct-7-enoic acid
PubChem CID59229292
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,6-dimethyloct-7-enoic acid
SMILESC=CC(C)CCCC(C)C(=O)O
InChIInChI=1S/C10H18O2/c1-4-8(2)6-5-7-9(3)10(11)12/h4,8-9H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyOAXNIISHSJPKCX-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methylnon-8-enoic acid
CID 129385535
carbonic acid;3-methylhex-1-ene
CID 161181273
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
3,8,9-trimethylundeca-1,9-diene
CID 123230555
dioxane;2-methylhept-6-enoic acid
CID 174547200
(2R,6R)-2,6-dimethyloctanoic acid
CID 100977919
2-methyl-6-oxohexanoic acid
CID 19986900
6-methyloct-7-enoate
CID 140706101
2,11-dimethyldodecanoic acid
CID 22251841
2,9-dimethyldecanoic acid
CID 22251838
6,6-dimethoxy-2-methylhexanoic acid
CID 22887849
(2S)-2,6-dimethylhept-6-enoic acid
CID 57381237

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloct-7-enoic acid?
The IUPAC name of 2,6-dimethyloct-7-enoic acid (CID 59229292) is 2,6-dimethyloct-7-enoic acid.
What is the SMILES notation for 2,6-dimethyloct-7-enoic acid?
The canonical SMILES for 2,6-dimethyloct-7-enoic acid is C=CC(C)CCCC(C)C(=O)O.
What is the InChIKey of 2,6-dimethyloct-7-enoic acid?
The InChIKey is OAXNIISHSJPKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-8(2)6-5-7-9(3)10(11)12/h4,8-9H,1,5-7H2,2-3H3,(H,11,12).
What are the key properties of 2,6-dimethyloct-7-enoic acid?
2,6-dimethyloct-7-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloct-7-enoic acid is sourced from PubChem (CID 59229292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).