buta-1,3-diene;decanedioic acid

C14H24O4 — CID 87614862

IUPACbuta-1,3-diene;decanedioic acid
SMILESC=CC=C.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C4H6/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-4-2/h1-8H2,(H,11,12)(H,13,14);3-4H,1-2H2
InChIKeyLZHSRUPPVDVHOQ-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.63
Rot. Bonds10

About buta-1,3-diene;decanedioic acid

buta-1,3-diene;decanedioic acid (PubChem CID 87614862) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is buta-1,3-diene;decanedioic acid.

Molecular Properties

Compound Namebuta-1,3-diene;decanedioic acid
PubChem CID87614862
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namebuta-1,3-diene;decanedioic acid
SMILESC=CC=C.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C4H6/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-4-2/h1-8H2,(H,11,12)(H,13,14);3-4H,1-2H2
InChIKeyLZHSRUPPVDVHOQ-UHFFFAOYSA-N
XLogP3.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
decanedioic acid;prop-2-enoic acid
CID 87433899
heptakis(decanedioic acid);ethene
CID 173236204
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;decanedioic acid?
The IUPAC name of buta-1,3-diene;decanedioic acid (CID 87614862) is buta-1,3-diene;decanedioic acid.
What is the SMILES notation for buta-1,3-diene;decanedioic acid?
The canonical SMILES for buta-1,3-diene;decanedioic acid is C=CC=C.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of buta-1,3-diene;decanedioic acid?
The InChIKey is LZHSRUPPVDVHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C4H6/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-4-2/h1-8H2,(H,11,12)(H,13,14);3-4H,1-2H2.
What are the key properties of buta-1,3-diene;decanedioic acid?
buta-1,3-diene;decanedioic acid has a molecular weight of 256.34 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;decanedioic acid is sourced from PubChem (CID 87614862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).