dec-3-yne-2,5-diol

C10H18O2 — CID 154189679

IUPACdec-3-yne-2,5-diol
SMILESCCCCCC(O)C#CC(C)O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-10(12)8-7-9(2)11/h9-12H,3-6H2,1-2H3
InChIKeyGQYLRBVRXXXXJR-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.31
Rot. Bonds4

About dec-3-yne-2,5-diol

dec-3-yne-2,5-diol (PubChem CID 154189679) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is dec-3-yne-2,5-diol.

Molecular Properties

Compound Namedec-3-yne-2,5-diol
PubChem CID154189679
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namedec-3-yne-2,5-diol
SMILESCCCCCC(O)C#CC(C)O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-10(12)8-7-9(2)11/h9-12H,3-6H2,1-2H3
InChIKeyGQYLRBVRXXXXJR-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
1-bromonon-2-yn-4-ol
CID 71364763
(2R)-hept-3-yn-2-ol
CID 11457676
(4S)-1,1,1-trifluoronon-2-yn-4-ol
CID 10535800
(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(3S)-1-trimethylsilylpentadec-1-yn-3-ol
CID 11449349
decane;dodecane-1,1-diol
CID 162011285
nonacosane-1,1-diol
CID 23066924
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679

Frequently Asked Questions

What is the IUPAC name of dec-3-yne-2,5-diol?
The IUPAC name of dec-3-yne-2,5-diol (CID 154189679) is dec-3-yne-2,5-diol.
What is the SMILES notation for dec-3-yne-2,5-diol?
The canonical SMILES for dec-3-yne-2,5-diol is CCCCCC(O)C#CC(C)O.
What is the InChIKey of dec-3-yne-2,5-diol?
The InChIKey is GQYLRBVRXXXXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-10(12)8-7-9(2)11/h9-12H,3-6H2,1-2H3.
What are the key properties of dec-3-yne-2,5-diol?
dec-3-yne-2,5-diol has a molecular weight of 170.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-3-yne-2,5-diol is sourced from PubChem (CID 154189679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).