cyclohexatriacontane;methanol

C43H100O7 — CID 159316819

IUPACcyclohexatriacontane;methanol
SMILESC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1.CO.CO.CO.CO.CO.CO.CO
InChIInChI=1S/C36H72.7CH4O/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1;7*1-2/h1-36H2;7*2H,1H3
InChIKeyLDFXXRZUJNJQFN-UHFFFAOYSA-N
MW729.27 g/mol
LogP11.30
Rot. Bonds

About cyclohexatriacontane;methanol

cyclohexatriacontane;methanol (PubChem CID 159316819) has the molecular formula C43H100O7 and a molecular weight of 729.27 g/mol. Its IUPAC name is cyclohexatriacontane;methanol.

Molecular Properties

Compound Namecyclohexatriacontane;methanol
PubChem CID159316819
Molecular FormulaC43H100O7
Molecular Weight729.27 g/mol
Exact Mass728.75
IUPAC Namecyclohexatriacontane;methanol
SMILESC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1.CO.CO.CO.CO.CO.CO.CO
InChIInChI=1S/C36H72.7CH4O/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1;7*1-2/h1-36H2;7*2H,1H3
InChIKeyLDFXXRZUJNJQFN-UHFFFAOYSA-N
XLogP11.30
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500729.27
LogP ≤ 511.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

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cyclobutane;ethane
CID 91611118
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CID 144519947
cyclobutane;cyclohexane;ethane
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CID 143364855

Frequently Asked Questions

What is the IUPAC name of cyclohexatriacontane;methanol?
The IUPAC name of cyclohexatriacontane;methanol (CID 159316819) is cyclohexatriacontane;methanol.
What is the SMILES notation for cyclohexatriacontane;methanol?
The canonical SMILES for cyclohexatriacontane;methanol is C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1.CO.CO.CO.CO.CO.CO.CO.
What is the InChIKey of cyclohexatriacontane;methanol?
The InChIKey is LDFXXRZUJNJQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72.7CH4O/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1;7*1-2/h1-36H2;7*2H,1H3.
What are the key properties of cyclohexatriacontane;methanol?
cyclohexatriacontane;methanol has a molecular weight of 729.27 g/mol, XLogP of 11.30, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexatriacontane;methanol is sourced from PubChem (CID 159316819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).