2-methylidenedecanedioic acid

C11H18O4 — CID 19780591

IUPAC2-methylidenedecanedioic acid
SMILESC=C(CCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C11H18O4/c1-9(11(14)15)7-5-3-2-4-6-8-10(12)13/h1-8H2,(H,12,13)(H,14,15)
InChIKeyNXWBVVHGBYZNPB-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.44
Rot. Bonds9

About 2-methylidenedecanedioic acid

2-methylidenedecanedioic acid (PubChem CID 19780591) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methylidenedecanedioic acid.

Molecular Properties

Compound Name2-methylidenedecanedioic acid
PubChem CID19780591
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-methylidenedecanedioic acid
SMILESC=C(CCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C11H18O4/c1-9(11(14)15)7-5-3-2-4-6-8-10(12)13/h1-8H2,(H,12,13)(H,14,15)
InChIKeyNXWBVVHGBYZNPB-UHFFFAOYSA-N
XLogP2.44
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3,4-Methylenesebacic acid
CID 124202122
1-Cycloundecene-1-carboxylic acid
CID 4060049
3-Methylenenonanoic acid
CID 118788
Pantheric acid D
CID 170990538
Pantheric acid E
CID 170990539
Pantheric acid F
CID 170990540
2-decyl acrylic Acid
CID 5282682
2-Decylpent-2-enedioic acid
CID 53705243
Pitinoic acid A
CID 72164849
3,4-Methyleneazelaic acid
CID 122517586
3,4-Methylene suberic acid
CID 124202118
9-(Methoxycarbonyl)-9-decenoic acid
CID 23757109

Frequently Asked Questions

What is the IUPAC name of 2-methylidenedecanedioic acid?
The IUPAC name of 2-methylidenedecanedioic acid (CID 19780591) is 2-methylidenedecanedioic acid.
What is the SMILES notation for 2-methylidenedecanedioic acid?
The canonical SMILES for 2-methylidenedecanedioic acid is C=C(CCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 2-methylidenedecanedioic acid?
The InChIKey is NXWBVVHGBYZNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-9(11(14)15)7-5-3-2-4-6-8-10(12)13/h1-8H2,(H,12,13)(H,14,15).
What are the key properties of 2-methylidenedecanedioic acid?
2-methylidenedecanedioic acid has a molecular weight of 214.26 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenedecanedioic acid is sourced from PubChem (CID 19780591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).