undec-7-yn-1-ol

C11H20O — CID 10909966

IUPACundec-7-yn-1-ol
SMILESCCCC#CCCCCCCO
InChIInChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-3,6-11H2,1H3
InChIKeyFSUVIJCGQCWRIA-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.73
Rot. Bonds6

About undec-7-yn-1-ol

undec-7-yn-1-ol (PubChem CID 10909966) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is undec-7-yn-1-ol.

Molecular Properties

Compound Nameundec-7-yn-1-ol
PubChem CID10909966
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nameundec-7-yn-1-ol
SMILESCCCC#CCCCCCCO
InChIInChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-3,6-11H2,1H3
InChIKeyFSUVIJCGQCWRIA-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
undec-5-yn-1-ol
CID 13113234
non-6-yn-1-ol
CID 3017913
pentadeca-5,10-diyn-1-ol
CID 560933
pentacos-4-yne
CID 22223888
nonacos-4-yne
CID 22223961
hexadeca-9,11-diyn-1-ol
CID 24975633
16-methylheptadec-9-yn-1-ol
CID 139685111
19-methylicos-11-yn-1-ol
CID 141402003
nonadeca-6,9,12-triyne-1,19-diol
CID 171715193
non-2-yne-1,9-diol
CID 10997284

Frequently Asked Questions

What is the IUPAC name of undec-7-yn-1-ol?
The IUPAC name of undec-7-yn-1-ol (CID 10909966) is undec-7-yn-1-ol.
What is the SMILES notation for undec-7-yn-1-ol?
The canonical SMILES for undec-7-yn-1-ol is CCCC#CCCCCCCO.
What is the InChIKey of undec-7-yn-1-ol?
The InChIKey is FSUVIJCGQCWRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-3,6-11H2,1H3.
What are the key properties of undec-7-yn-1-ol?
undec-7-yn-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-7-yn-1-ol is sourced from PubChem (CID 10909966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).