tritriacont-32-enoic acid

C33H64O2 — CID 54063641

IUPACtritriacont-32-enoic acid
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C33H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35/h2H,1,3-32H2,(H,34,35)
InChIKeyMBLMGQRHMWXDPZ-UHFFFAOYSA-N
MW492.87 g/mol
LogP11.96
Rot. Bonds31

About tritriacont-32-enoic acid

tritriacont-32-enoic acid (PubChem CID 54063641) has the molecular formula C33H64O2 and a molecular weight of 492.87 g/mol. Its IUPAC name is tritriacont-32-enoic acid.

Molecular Properties

Compound Nametritriacont-32-enoic acid
PubChem CID54063641
Molecular FormulaC33H64O2
Molecular Weight492.87 g/mol
Exact Mass492.49
IUPAC Nametritriacont-32-enoic acid
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C33H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35/h2H,1,3-32H2,(H,34,35)
InChIKeyMBLMGQRHMWXDPZ-UHFFFAOYSA-N
XLogP11.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.87
LogP ≤ 511.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
alumane;undec-10-enoic acid;hydrochloride
CID 175378056
hexane-1,6-diol;undec-10-enoic acid
CID 87494369
isocyanic acid;undec-10-enoic acid
CID 172822510
dec-1-ene;dec-9-enoic acid
CID 87497067
2,2,2-trifluoroacetic acid;undec-10-enoic acid
CID 166789468
isocyanic acid;methane;non-8-enoic acid
CID 174797729
buta-1,3-diene;decanedioic acid
CID 87614862
heptadeca-12,16-dienoic acid
CID 91393607
bis(propane-1,2,3-triol);undec-10-enoic acid
CID 175703798

Frequently Asked Questions

What is the IUPAC name of tritriacont-32-enoic acid?
The IUPAC name of tritriacont-32-enoic acid (CID 54063641) is tritriacont-32-enoic acid.
What is the SMILES notation for tritriacont-32-enoic acid?
The canonical SMILES for tritriacont-32-enoic acid is C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of tritriacont-32-enoic acid?
The InChIKey is MBLMGQRHMWXDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35/h2H,1,3-32H2,(H,34,35).
What are the key properties of tritriacont-32-enoic acid?
tritriacont-32-enoic acid has a molecular weight of 492.87 g/mol, XLogP of 11.96, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tritriacont-32-enoic acid is sourced from PubChem (CID 54063641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).