cyclotricosane;ethanol

C35H82O6 — CID 159804835

IUPACcyclotricosane;ethanol
SMILESC1CCCCCCCCCCCCCCCCCCCCCC1.CCO.CCO.CCO.CCO.CCO.CCO
InChIInChI=1S/C23H46.6C2H6O/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1;6*1-2-3/h1-23H2;6*3H,2H2,1H3
InChIKeyNKGIJSBUBQDCMU-UHFFFAOYSA-N
MW599.04 g/mol
LogP8.96
Rot. Bonds

About cyclotricosane;ethanol

cyclotricosane;ethanol (PubChem CID 159804835) has the molecular formula C35H82O6 and a molecular weight of 599.04 g/mol. Its IUPAC name is cyclotricosane;ethanol.

Molecular Properties

Compound Namecyclotricosane;ethanol
PubChem CID159804835
Molecular FormulaC35H82O6
Molecular Weight599.04 g/mol
Exact Mass598.61
IUPAC Namecyclotricosane;ethanol
SMILESC1CCCCCCCCCCCCCCCCCCCCCC1.CCO.CCO.CCO.CCO.CCO.CCO
InChIInChI=1S/C23H46.6C2H6O/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1;6*1-2-3/h1-23H2;6*3H,2H2,1H3
InChIKeyNKGIJSBUBQDCMU-UHFFFAOYSA-N
XLogP8.96
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500599.04
LogP ≤ 58.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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ethanol;thiane
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ethanol;oxane
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ethanol;methanol
CID 157119827
ethanol;stibane
CID 170920077
ethanol;hydron
CID 174459614
ethanol;tin(2+)
CID 162004830
ethanol;phosphane
CID 159788730
ethanol iodide
CID 22987629
azane;ethanol
CID 173204929
ethanol;propane
CID 158736248

Frequently Asked Questions

What is the IUPAC name of cyclotricosane;ethanol?
The IUPAC name of cyclotricosane;ethanol (CID 159804835) is cyclotricosane;ethanol.
What is the SMILES notation for cyclotricosane;ethanol?
The canonical SMILES for cyclotricosane;ethanol is C1CCCCCCCCCCCCCCCCCCCCCC1.CCO.CCO.CCO.CCO.CCO.CCO.
What is the InChIKey of cyclotricosane;ethanol?
The InChIKey is NKGIJSBUBQDCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46.6C2H6O/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1;6*1-2-3/h1-23H2;6*3H,2H2,1H3.
What are the key properties of cyclotricosane;ethanol?
cyclotricosane;ethanol has a molecular weight of 599.04 g/mol, XLogP of 8.96, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotricosane;ethanol is sourced from PubChem (CID 159804835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).