ethanol;nonacosan-10-ol

C31H66O2 — CID 87536381

IUPACethanol;nonacosan-10-ol
SMILESCCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCC.CCO
InChIInChI=1S/C29H60O.C2H6O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2;1-2-3/h29-30H,3-28H2,1-2H3;3H,2H2,1H3
InChIKeyFSSWCDOQSIMSFW-UHFFFAOYSA-N
MW470.87 g/mol
LogP10.53
Rot. Bonds26

About ethanol;nonacosan-10-ol

ethanol;nonacosan-10-ol (PubChem CID 87536381) has the molecular formula C31H66O2 and a molecular weight of 470.87 g/mol. Its IUPAC name is ethanol;nonacosan-10-ol.

Molecular Properties

Compound Nameethanol;nonacosan-10-ol
PubChem CID87536381
Molecular FormulaC31H66O2
Molecular Weight470.87 g/mol
Exact Mass470.51
IUPAC Nameethanol;nonacosan-10-ol
SMILESCCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCC.CCO
InChIInChI=1S/C29H60O.C2H6O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2;1-2-3/h29-30H,3-28H2,1-2H3;3H,2H2,1H3
InChIKeyFSSWCDOQSIMSFW-UHFFFAOYSA-N
XLogP10.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.87
LogP ≤ 510.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579

Frequently Asked Questions

What is the IUPAC name of ethanol;nonacosan-10-ol?
The IUPAC name of ethanol;nonacosan-10-ol (CID 87536381) is ethanol;nonacosan-10-ol.
What is the SMILES notation for ethanol;nonacosan-10-ol?
The canonical SMILES for ethanol;nonacosan-10-ol is CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCC.CCO.
What is the InChIKey of ethanol;nonacosan-10-ol?
The InChIKey is FSSWCDOQSIMSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60O.C2H6O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2;1-2-3/h29-30H,3-28H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;nonacosan-10-ol?
ethanol;nonacosan-10-ol has a molecular weight of 470.87 g/mol, XLogP of 10.53, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;nonacosan-10-ol is sourced from PubChem (CID 87536381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).