3-methylideneheptanoic acid

C8H14O2 — CID 13159262

IUPAC3-methylideneheptanoic acid
SMILESC=C(CCCC)CC(=O)O
InChIInChI=1S/C8H14O2/c1-3-4-5-7(2)6-8(9)10/h2-6H2,1H3,(H,9,10)
InChIKeyDURJBIVOBGHCHY-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.21
Rot. Bonds5

About 3-methylideneheptanoic acid

3-methylideneheptanoic acid (PubChem CID 13159262) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methylideneheptanoic acid.

Molecular Properties

Compound Name3-methylideneheptanoic acid
PubChem CID13159262
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-methylideneheptanoic acid
SMILESC=C(CCCC)CC(=O)O
InChIInChI=1S/C8H14O2/c1-3-4-5-7(2)6-8(9)10/h2-6H2,1H3,(H,9,10)
InChIKeyDURJBIVOBGHCHY-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.21
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

3-methylidenetetradecanoic acid
CID 89137857
3-methylidenehexanoic acid
CID 13159263
dodecanoic acid;5-methylidenenonane
CID 87640526
1,4-dimethylcyclohexane;4-methylideneoctan-2-one
CID 142228416
CID 159436476
CID 159436476
lanthanum;pentanoic acid
CID 88604988
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
2-methylidenehexanoic acid;zinc
CID 174824467
hex-1-en-2-ylcarbamic acid
CID 88505899
3-methyl-5-methylidenenon-2-ene
CID 86209707

Frequently Asked Questions

What is the IUPAC name of 3-methylideneheptanoic acid?
The IUPAC name of 3-methylideneheptanoic acid (CID 13159262) is 3-methylideneheptanoic acid.
What is the SMILES notation for 3-methylideneheptanoic acid?
The canonical SMILES for 3-methylideneheptanoic acid is C=C(CCCC)CC(=O)O.
What is the InChIKey of 3-methylideneheptanoic acid?
The InChIKey is DURJBIVOBGHCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-5-7(2)6-8(9)10/h2-6H2,1H3,(H,9,10).
What are the key properties of 3-methylideneheptanoic acid?
3-methylideneheptanoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylideneheptanoic acid is sourced from PubChem (CID 13159262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).