5,6-dimethyl-2-methylideneheptanoic acid

C10H18O2 — CID 87749992

IUPAC5,6-dimethyl-2-methylideneheptanoic acid
SMILESC=C(CCC(C)C(C)C)C(=O)O
InChIInChI=1S/C10H18O2/c1-7(2)8(3)5-6-9(4)10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyJZRGMDJSOQGPCI-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.70
Rot. Bonds5

About 5,6-dimethyl-2-methylideneheptanoic acid

5,6-dimethyl-2-methylideneheptanoic acid (PubChem CID 87749992) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5,6-dimethyl-2-methylideneheptanoic acid.

Molecular Properties

Compound Name5,6-dimethyl-2-methylideneheptanoic acid
PubChem CID87749992
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5,6-dimethyl-2-methylideneheptanoic acid
SMILESC=C(CCC(C)C(C)C)C(=O)O
InChIInChI=1S/C10H18O2/c1-7(2)8(3)5-6-9(4)10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyJZRGMDJSOQGPCI-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-5-methyl-2-methylideneoctanoic acid
CID 57135378
4,5-dimethyl-2-methylidenehexanoic acid
CID 88826259
(6R)-2,6,7-trimethyl-3-methylideneoct-1-ene
CID 162769064
5,5-difluoro-2-methylidenepentanoic acid
CID 23143942
(7R)-7-hydroxy-2-methylideneoctanoic acid
CID 158070673
6-methyl-2-methylideneoctanoic acid
CID 54361308
8-hydroxy-2-methylidenenonanoic acid
CID 54254175
2-methylidene-5-prop-2-enoyloxyhexanoic acid
CID 87125113
6-methyl-2-methylidenenonanoic acid
CID 54193613
8-hydroxy-6-methyl-2-methylideneoctanoic acid
CID 87276335
5-methoxy-2-methylideneheptanoic acid
CID 23448523
2,8,9-trimethyldecan-5-one
CID 162772851

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-methylideneheptanoic acid?
The IUPAC name of 5,6-dimethyl-2-methylideneheptanoic acid (CID 87749992) is 5,6-dimethyl-2-methylideneheptanoic acid.
What is the SMILES notation for 5,6-dimethyl-2-methylideneheptanoic acid?
The canonical SMILES for 5,6-dimethyl-2-methylideneheptanoic acid is C=C(CCC(C)C(C)C)C(=O)O.
What is the InChIKey of 5,6-dimethyl-2-methylideneheptanoic acid?
The InChIKey is JZRGMDJSOQGPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)8(3)5-6-9(4)10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 5,6-dimethyl-2-methylideneheptanoic acid?
5,6-dimethyl-2-methylideneheptanoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-methylideneheptanoic acid is sourced from PubChem (CID 87749992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).