bis(butanedioic acid);decane

C18H34O8 — CID 159628544

IUPACbis(butanedioic acid);decane
SMILESCCCCCCCCCC.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/C10H22.2C4H6O4/c1-3-5-7-9-10-8-6-4-2;2*5-3(6)1-2-4(7)8/h3-10H2,1-2H3;2*1-2H2,(H,5,6)(H,7,8)
InChIKeyMOUWVEKVCVGQTL-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.02
Rot. Bonds13

About bis(butanedioic acid);decane

bis(butanedioic acid);decane (PubChem CID 159628544) has the molecular formula C18H34O8 and a molecular weight of 378.46 g/mol. Its IUPAC name is bis(butanedioic acid);decane.

Molecular Properties

Compound Namebis(butanedioic acid);decane
PubChem CID159628544
Molecular FormulaC18H34O8
Molecular Weight378.46 g/mol
Exact Mass378.23
IUPAC Namebis(butanedioic acid);decane
SMILESCCCCCCCCCC.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/C10H22.2C4H6O4/c1-3-5-7-9-10-8-6-4-2;2*5-3(6)1-2-4(7)8/h3-10H2,1-2H3;2*1-2H2,(H,5,6)(H,7,8)
InChIKeyMOUWVEKVCVGQTL-UHFFFAOYSA-N
XLogP4.02
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
icosane;pentanoic acid
CID 159151393

Frequently Asked Questions

What is the IUPAC name of bis(butanedioic acid);decane?
The IUPAC name of bis(butanedioic acid);decane (CID 159628544) is bis(butanedioic acid);decane.
What is the SMILES notation for bis(butanedioic acid);decane?
The canonical SMILES for bis(butanedioic acid);decane is CCCCCCCCCC.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.
What is the InChIKey of bis(butanedioic acid);decane?
The InChIKey is MOUWVEKVCVGQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.2C4H6O4/c1-3-5-7-9-10-8-6-4-2;2*5-3(6)1-2-4(7)8/h3-10H2,1-2H3;2*1-2H2,(H,5,6)(H,7,8).
What are the key properties of bis(butanedioic acid);decane?
bis(butanedioic acid);decane has a molecular weight of 378.46 g/mol, XLogP of 4.02, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butanedioic acid);decane is sourced from PubChem (CID 159628544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).