methanol;undecane

C13H32O2 — CID 161373911

IUPACmethanol;undecane
SMILESCCCCCCCCCCC.CO.CO
InChIInChI=1S/C11H24.2CH4O/c1-3-5-7-9-11-10-8-6-4-2;2*1-2/h3-11H2,1-2H3;2*2H,1H3
InChIKeyVQVFMIBXQDTGBS-UHFFFAOYSA-N
MW220.40 g/mol
LogP3.75
Rot. Bonds8

About methanol;undecane

methanol;undecane (PubChem CID 161373911) has the molecular formula C13H32O2 and a molecular weight of 220.40 g/mol. Its IUPAC name is methanol;undecane.

Molecular Properties

Compound Namemethanol;undecane
PubChem CID161373911
Molecular FormulaC13H32O2
Molecular Weight220.40 g/mol
Exact Mass220.24
IUPAC Namemethanol;undecane
SMILESCCCCCCCCCCC.CO.CO
InChIInChI=1S/C11H24.2CH4O/c1-3-5-7-9-11-10-8-6-4-2;2*1-2/h3-11H2,1-2H3;2*2H,1H3
InChIKeyVQVFMIBXQDTGBS-UHFFFAOYSA-N
XLogP3.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 53.75
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

hexadecane;methanol;hydrate
CID 87350275
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
dohexacontane
CID 522644
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of methanol;undecane?
The IUPAC name of methanol;undecane (CID 161373911) is methanol;undecane.
What is the SMILES notation for methanol;undecane?
The canonical SMILES for methanol;undecane is CCCCCCCCCCC.CO.CO.
What is the InChIKey of methanol;undecane?
The InChIKey is VQVFMIBXQDTGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.2CH4O/c1-3-5-7-9-11-10-8-6-4-2;2*1-2/h3-11H2,1-2H3;2*2H,1H3.
What are the key properties of methanol;undecane?
methanol;undecane has a molecular weight of 220.40 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;undecane is sourced from PubChem (CID 161373911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).