gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol

C48H99AuO3 — CID 129032332

IUPACgold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.[Au+].[CH2-]CCCCCCCCCCCCCO
InChIInChI=1S/C34H70O2.C14H29O.Au/c35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;/h35-36H,1-34H2;15H,1-14H2;/q;-1;+1
InChIKeyJNRDTSSKLSPTTJ-UHFFFAOYSA-N
MW921.28 g/mol
LogP15.95
Rot. Bonds45

About gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol

gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol (PubChem CID 129032332) has the molecular formula C48H99AuO3 and a molecular weight of 921.28 g/mol. Its IUPAC name is gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol.

Molecular Properties

Compound Namegold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol
PubChem CID129032332
Molecular FormulaC48H99AuO3
Molecular Weight921.28 g/mol
Exact Mass920.73
IUPAC Namegold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol
SMILESOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.[Au+].[CH2-]CCCCCCCCCCCCCO
InChIInChI=1S/C34H70O2.C14H29O.Au/c35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;/h35-36H,1-34H2;15H,1-14H2;/q;-1;+1
InChIKeyJNRDTSSKLSPTTJ-UHFFFAOYSA-N
XLogP15.95
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds45
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.28
LogP ≤ 515.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol?
The IUPAC name of gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol (CID 129032332) is gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol.
What is the SMILES notation for gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol?
The canonical SMILES for gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol is OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.[Au+].[CH2-]CCCCCCCCCCCCCO.
What is the InChIKey of gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol?
The InChIKey is JNRDTSSKLSPTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70O2.C14H29O.Au/c35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;/h35-36H,1-34H2;15H,1-14H2;/q;-1;+1.
What are the key properties of gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol?
gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol has a molecular weight of 921.28 g/mol, XLogP of 15.95, 45 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol is sourced from PubChem (CID 129032332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).