5,6-dimethyl-2-methylidenehept-4-enoic acid

C10H16O2 — CID 135037422

IUPAC5,6-dimethyl-2-methylidenehept-4-enoic acid
SMILESC=C(CC=C(C)C(C)C)C(=O)O
InChIInChI=1S/C10H16O2/c1-7(2)8(3)5-6-9(4)10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)
InChIKeyYXUBXONLANJAHY-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.62
Rot. Bonds4

About 5,6-dimethyl-2-methylidenehept-4-enoic acid

5,6-dimethyl-2-methylidenehept-4-enoic acid (PubChem CID 135037422) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5,6-dimethyl-2-methylidenehept-4-enoic acid.

Molecular Properties

Compound Name5,6-dimethyl-2-methylidenehept-4-enoic acid
PubChem CID135037422
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5,6-dimethyl-2-methylidenehept-4-enoic acid
SMILESC=C(CC=C(C)C(C)C)C(=O)O
InChIInChI=1S/C10H16O2/c1-7(2)8(3)5-6-9(4)10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)
InChIKeyYXUBXONLANJAHY-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-methylidenehept-4-enoic acid?
The IUPAC name of 5,6-dimethyl-2-methylidenehept-4-enoic acid (CID 135037422) is 5,6-dimethyl-2-methylidenehept-4-enoic acid.
What is the SMILES notation for 5,6-dimethyl-2-methylidenehept-4-enoic acid?
The canonical SMILES for 5,6-dimethyl-2-methylidenehept-4-enoic acid is C=C(CC=C(C)C(C)C)C(=O)O.
What is the InChIKey of 5,6-dimethyl-2-methylidenehept-4-enoic acid?
The InChIKey is YXUBXONLANJAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)8(3)5-6-9(4)10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12).
What are the key properties of 5,6-dimethyl-2-methylidenehept-4-enoic acid?
5,6-dimethyl-2-methylidenehept-4-enoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-methylidenehept-4-enoic acid is sourced from PubChem (CID 135037422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).