pentadeca-5,10-diyn-1-ol

C15H24O — CID 560933

IUPACpentadeca-5,10-diyn-1-ol
SMILESCCCCC#CCCCC#CCCCCO
InChIInChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-4,7-9,12-15H2,1H3
InChIKeyDUHWPSBXJXGYST-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.52
Rot. Bonds7

About pentadeca-5,10-diyn-1-ol

pentadeca-5,10-diyn-1-ol (PubChem CID 560933) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is pentadeca-5,10-diyn-1-ol.

Molecular Properties

Compound Namepentadeca-5,10-diyn-1-ol
PubChem CID560933
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Namepentadeca-5,10-diyn-1-ol
SMILESCCCCC#CCCCC#CCCCCO
InChIInChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-4,7-9,12-15H2,1H3
InChIKeyDUHWPSBXJXGYST-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.52
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

undec-5-yn-1-ol
CID 13113234
heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
undec-7-yn-1-ol
CID 10909966
hexadeca-9,11-diyn-1-ol
CID 24975633
tetradeca-4,9-diyne
CID 173328648
pentadeca-5,10-diyne
CID 15530767
non-6-yn-1-ol
CID 3017913
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
1-chloropentadeca-5,10-diyne
CID 560942
undeca-5,10-diyn-1-ol
CID 3442451

Frequently Asked Questions

What is the IUPAC name of pentadeca-5,10-diyn-1-ol?
The IUPAC name of pentadeca-5,10-diyn-1-ol (CID 560933) is pentadeca-5,10-diyn-1-ol.
What is the SMILES notation for pentadeca-5,10-diyn-1-ol?
The canonical SMILES for pentadeca-5,10-diyn-1-ol is CCCCC#CCCCC#CCCCCO.
What is the InChIKey of pentadeca-5,10-diyn-1-ol?
The InChIKey is DUHWPSBXJXGYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-4,7-9,12-15H2,1H3.
What are the key properties of pentadeca-5,10-diyn-1-ol?
pentadeca-5,10-diyn-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-5,10-diyn-1-ol is sourced from PubChem (CID 560933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).