2-dec-5-ynylidenepropane-1,3-diol

C13H22O2 — CID 14451693

IUPAC2-dec-5-ynylidenepropane-1,3-diol
SMILESCCCCC#CCCCC=C(CO)CO
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-13(11-14)12-15/h10,14-15H,2-4,7-9,11-12H2,1H3
InChIKeyNUXLGQQOEKRILF-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.26
Rot. Bonds7

About 2-dec-5-ynylidenepropane-1,3-diol

2-dec-5-ynylidenepropane-1,3-diol (PubChem CID 14451693) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-dec-5-ynylidenepropane-1,3-diol.

Molecular Properties

Compound Name2-dec-5-ynylidenepropane-1,3-diol
PubChem CID14451693
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-dec-5-ynylidenepropane-1,3-diol
SMILESCCCCC#CCCCC=C(CO)CO
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-13(11-14)12-15/h10,14-15H,2-4,7-9,11-12H2,1H3
InChIKeyNUXLGQQOEKRILF-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dec-5-ynylidenepropane-1,3-diol?
The IUPAC name of 2-dec-5-ynylidenepropane-1,3-diol (CID 14451693) is 2-dec-5-ynylidenepropane-1,3-diol.
What is the SMILES notation for 2-dec-5-ynylidenepropane-1,3-diol?
The canonical SMILES for 2-dec-5-ynylidenepropane-1,3-diol is CCCCC#CCCCC=C(CO)CO.
What is the InChIKey of 2-dec-5-ynylidenepropane-1,3-diol?
The InChIKey is NUXLGQQOEKRILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-13(11-14)12-15/h10,14-15H,2-4,7-9,11-12H2,1H3.
What are the key properties of 2-dec-5-ynylidenepropane-1,3-diol?
2-dec-5-ynylidenepropane-1,3-diol has a molecular weight of 210.32 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-5-ynylidenepropane-1,3-diol is sourced from PubChem (CID 14451693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).