2-decylpropanedioic acid;ethane-1,2-diol

C15H30O6 — CID 174702974

IUPAC2-decylpropanedioic acid;ethane-1,2-diol
SMILESCCCCCCCCCCC(C(=O)O)C(=O)O.OCCO
InChIInChI=1S/C13H24O4.C2H6O2/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17;3-1-2-4/h11H,2-10H2,1H3,(H,14,15)(H,16,17);3-4H,1-2H2
InChIKeyKCUASAFWKLVZIE-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.27
Rot. Bonds12

About 2-decylpropanedioic acid;ethane-1,2-diol

2-decylpropanedioic acid;ethane-1,2-diol (PubChem CID 174702974) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-decylpropanedioic acid;ethane-1,2-diol.

Molecular Properties

Compound Name2-decylpropanedioic acid;ethane-1,2-diol
PubChem CID174702974
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name2-decylpropanedioic acid;ethane-1,2-diol
SMILESCCCCCCCCCCC(C(=O)O)C(=O)O.OCCO
InChIInChI=1S/C13H24O4.C2H6O2/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17;3-1-2-4/h11H,2-10H2,1H3,(H,14,15)(H,16,17);3-4H,1-2H2
InChIKeyKCUASAFWKLVZIE-UHFFFAOYSA-N
XLogP2.27
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
bis(2-aminoethanol);2-undecylpropanedioic acid
CID 173051434
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
2-(8-nonyl-9-octyloctadecyl)propanedioic acid
CID 142769459
2-[6-[decyl(3-hydroxypropyl)amino]hexyl]propanedioic acid
CID 175979661
trilithium;2-octylpropanedioic acid;borate
CID 175907806
dodecanedioic acid;2-undecylpropanedioic acid
CID 160978167
2-(6-ethylpentadecyl)propanedioic acid
CID 87568390
2-octylpropanedioic acid;undecanedioic acid
CID 159177053

Frequently Asked Questions

What is the IUPAC name of 2-decylpropanedioic acid;ethane-1,2-diol?
The IUPAC name of 2-decylpropanedioic acid;ethane-1,2-diol (CID 174702974) is 2-decylpropanedioic acid;ethane-1,2-diol.
What is the SMILES notation for 2-decylpropanedioic acid;ethane-1,2-diol?
The canonical SMILES for 2-decylpropanedioic acid;ethane-1,2-diol is CCCCCCCCCCC(C(=O)O)C(=O)O.OCCO.
What is the InChIKey of 2-decylpropanedioic acid;ethane-1,2-diol?
The InChIKey is KCUASAFWKLVZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4.C2H6O2/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17;3-1-2-4/h11H,2-10H2,1H3,(H,14,15)(H,16,17);3-4H,1-2H2.
What are the key properties of 2-decylpropanedioic acid;ethane-1,2-diol?
2-decylpropanedioic acid;ethane-1,2-diol has a molecular weight of 306.40 g/mol, XLogP of 2.27, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylpropanedioic acid;ethane-1,2-diol is sourced from PubChem (CID 174702974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).