undecan-1-ol

C22H48O2 — CID 122455065

IUPACundecan-1-ol
SMILESCCCCCCCCCCCO.CCCCCCCCCCCO
InChIInChI=1S/2C11H24O/c2*1-2-3-4-5-6-7-8-9-10-11-12/h2*12H,2-11H2,1H3
InChIKeyZGWHKHPPSZVYNS-UHFFFAOYSA-N
MW344.62 g/mol
LogP7.02
Rot. Bonds18

About undecan-1-ol

undecan-1-ol (PubChem CID 122455065) has the molecular formula C22H48O2 and a molecular weight of 344.62 g/mol. Its IUPAC name is undecan-1-ol.

Molecular Properties

Compound Nameundecan-1-ol
PubChem CID122455065
Molecular FormulaC22H48O2
Molecular Weight344.62 g/mol
Exact Mass344.37
IUPAC Nameundecan-1-ol
SMILESCCCCCCCCCCCO.CCCCCCCCCCCO
InChIInChI=1S/2C11H24O/c2*1-2-3-4-5-6-7-8-9-10-11-12/h2*12H,2-11H2,1H3
InChIKeyZGWHKHPPSZVYNS-UHFFFAOYSA-N
XLogP7.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 57.02
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

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546

Frequently Asked Questions

What is the IUPAC name of undecan-1-ol?
The IUPAC name of undecan-1-ol (CID 122455065) is undecan-1-ol.
What is the SMILES notation for undecan-1-ol?
The canonical SMILES for undecan-1-ol is CCCCCCCCCCCO.CCCCCCCCCCCO.
What is the InChIKey of undecan-1-ol?
The InChIKey is ZGWHKHPPSZVYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H24O/c2*1-2-3-4-5-6-7-8-9-10-11-12/h2*12H,2-11H2,1H3.
What are the key properties of undecan-1-ol?
undecan-1-ol has a molecular weight of 344.62 g/mol, XLogP of 7.02, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undecan-1-ol is sourced from PubChem (CID 122455065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).