cyclodotriacontane;methanol

C40H96O8 — CID 159486487

IUPACcyclodotriacontane;methanol
SMILESC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1.CO.CO.CO.CO.CO.CO.CO.CO
InChIInChI=1S/C32H64.8CH4O/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1;8*1-2/h1-32H2;8*2H,1H3
InChIKeyLXQNNLRVWBATPO-UHFFFAOYSA-N
MW705.20 g/mol
LogP9.35
Rot. Bonds

About cyclodotriacontane;methanol

cyclodotriacontane;methanol (PubChem CID 159486487) has the molecular formula C40H96O8 and a molecular weight of 705.20 g/mol. Its IUPAC name is cyclodotriacontane;methanol.

Molecular Properties

Compound Namecyclodotriacontane;methanol
PubChem CID159486487
Molecular FormulaC40H96O8
Molecular Weight705.20 g/mol
Exact Mass704.71
IUPAC Namecyclodotriacontane;methanol
SMILESC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1.CO.CO.CO.CO.CO.CO.CO.CO
InChIInChI=1S/C32H64.8CH4O/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1;8*1-2/h1-32H2;8*2H,1H3
InChIKeyLXQNNLRVWBATPO-UHFFFAOYSA-N
XLogP9.35
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500705.20
LogP ≤ 59.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 66841571
cyclohexane;methanol;propan-2-ol
CID 67797847
benzene;cyclohexane;methanamine;methanol
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cyclobutane;ethane
CID 91611118
cyclopropane;ethane
CID 144519947
cyclobutane;cyclohexane;ethane
CID 159889841
cyclopropane;ethane
CID 143364855

Frequently Asked Questions

What is the IUPAC name of cyclodotriacontane;methanol?
The IUPAC name of cyclodotriacontane;methanol (CID 159486487) is cyclodotriacontane;methanol.
What is the SMILES notation for cyclodotriacontane;methanol?
The canonical SMILES for cyclodotriacontane;methanol is C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1.CO.CO.CO.CO.CO.CO.CO.CO.
What is the InChIKey of cyclodotriacontane;methanol?
The InChIKey is LXQNNLRVWBATPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64.8CH4O/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1;8*1-2/h1-32H2;8*2H,1H3.
What are the key properties of cyclodotriacontane;methanol?
cyclodotriacontane;methanol has a molecular weight of 705.20 g/mol, XLogP of 9.35, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodotriacontane;methanol is sourced from PubChem (CID 159486487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).