2,2-bis(methoxycarbonyl)decanoic acid

C14H24O6 — CID 137333541

IUPAC2,2-bis(methoxycarbonyl)decanoic acid
SMILESCCCCCCCCC(C(=O)O)(C(=O)OC)C(=O)OC
InChIInChI=1S/C14H24O6/c1-4-5-6-7-8-9-10-14(11(15)16,12(17)19-2)13(18)20-3/h4-10H2,1-3H3,(H,15,16)
InChIKeyUVSMREQGYHOSTO-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.15
Rot. Bonds10

About 2,2-bis(methoxycarbonyl)decanoic acid

2,2-bis(methoxycarbonyl)decanoic acid (PubChem CID 137333541) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2,2-bis(methoxycarbonyl)decanoic acid.

Molecular Properties

Compound Name2,2-bis(methoxycarbonyl)decanoic acid
PubChem CID137333541
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2,2-bis(methoxycarbonyl)decanoic acid
SMILESCCCCCCCCC(C(=O)O)(C(=O)OC)C(=O)OC
InChIInChI=1S/C14H24O6/c1-4-5-6-7-8-9-10-14(11(15)16,12(17)19-2)13(18)20-3/h4-10H2,1-3H3,(H,15,16)
InChIKeyUVSMREQGYHOSTO-UHFFFAOYSA-N
XLogP2.15
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

octadecane-1,1,1-tricarboxylic acid
CID 57231234
triacontane-1,1,1-tricarboxylic acid
CID 141175641
ethene;methyl 2,2-diacetyloctadecanoate
CID 88843379
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
2,2-bis(methoxycarbonyl)-12-methyltridecanedioic acid
CID 150914134
methyl 2,2-difluoroheptadecanoate
CID 150501536
methyl 2,2-difluorodecanoate
CID 22025599
methyl 2-hydroxy-2-methylnonanoate
CID 62212880
methyl 2-amino-2-hydroxytetradecanoate
CID 174591192
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
pentane-1,1,1-tricarboxylic acid
CID 19386814
methyl 2-methyl-2-sulfanylnonadecanoate
CID 88720330

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methoxycarbonyl)decanoic acid?
The IUPAC name of 2,2-bis(methoxycarbonyl)decanoic acid (CID 137333541) is 2,2-bis(methoxycarbonyl)decanoic acid.
What is the SMILES notation for 2,2-bis(methoxycarbonyl)decanoic acid?
The canonical SMILES for 2,2-bis(methoxycarbonyl)decanoic acid is CCCCCCCCC(C(=O)O)(C(=O)OC)C(=O)OC.
What is the InChIKey of 2,2-bis(methoxycarbonyl)decanoic acid?
The InChIKey is UVSMREQGYHOSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-4-5-6-7-8-9-10-14(11(15)16,12(17)19-2)13(18)20-3/h4-10H2,1-3H3,(H,15,16).
What are the key properties of 2,2-bis(methoxycarbonyl)decanoic acid?
2,2-bis(methoxycarbonyl)decanoic acid has a molecular weight of 288.34 g/mol, XLogP of 2.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methoxycarbonyl)decanoic acid is sourced from PubChem (CID 137333541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).