butan-1-ol;decanedioic acid

C14H28O5 — CID 174423562

IUPACbutan-1-ol;decanedioic acid
SMILESCCCCO.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C4H10O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-3-4-5/h1-8H2,(H,11,12)(H,13,14);5H,2-4H2,1H3
InChIKeyRTKZFBDSIJOSGG-UHFFFAOYSA-N
MW276.37 g/mol
LogP3.06
Rot. Bonds11

About butan-1-ol;decanedioic acid

butan-1-ol;decanedioic acid (PubChem CID 174423562) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is butan-1-ol;decanedioic acid.

Molecular Properties

Compound Namebutan-1-ol;decanedioic acid
PubChem CID174423562
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Namebutan-1-ol;decanedioic acid
SMILESCCCCO.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C4H10O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-3-4-5/h1-8H2,(H,11,12)(H,13,14);5H,2-4H2,1H3
InChIKeyRTKZFBDSIJOSGG-UHFFFAOYSA-N
XLogP3.06
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol;octadecanoic acid;zirconium
CID 141168170
dodecanoic acid;hexadecan-1-ol;octadecane
CID 175592035
heptanoic acid;bis(octadecan-1-ol);octanoic acid
CID 175488622
dodecane-1,12-diol;dodecanoic acid
CID 87364102
18-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989364
butanedioic acid;decanoic acid;ethane-1,2-diol
CID 174941977
5-aminopentan-1-ol;octanoic acid
CID 21259313
henicosane;tetracontanoic acid
CID 175935348
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687
octane;octanoic acid
CID 88924420
bis(decanoic acid);bis(octanoic acid)
CID 160578094

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;decanedioic acid?
The IUPAC name of butan-1-ol;decanedioic acid (CID 174423562) is butan-1-ol;decanedioic acid.
What is the SMILES notation for butan-1-ol;decanedioic acid?
The canonical SMILES for butan-1-ol;decanedioic acid is CCCCO.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of butan-1-ol;decanedioic acid?
The InChIKey is RTKZFBDSIJOSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C4H10O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-3-4-5/h1-8H2,(H,11,12)(H,13,14);5H,2-4H2,1H3.
What are the key properties of butan-1-ol;decanedioic acid?
butan-1-ol;decanedioic acid has a molecular weight of 276.37 g/mol, XLogP of 3.06, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;decanedioic acid is sourced from PubChem (CID 174423562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).