2-methyldec-3-yne-1,2-diol

C11H20O2 — CID 121216457

IUPAC2-methyldec-3-yne-1,2-diol
SMILESCCCCCCC#CC(C)(O)CO
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-11(2,13)10-12/h12-13H,3-7,10H2,1-2H3
InChIKeyLGSFCBAKGNRTON-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.70
Rot. Bonds5

About 2-methyldec-3-yne-1,2-diol

2-methyldec-3-yne-1,2-diol (PubChem CID 121216457) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyldec-3-yne-1,2-diol.

Molecular Properties

Compound Name2-methyldec-3-yne-1,2-diol
PubChem CID121216457
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyldec-3-yne-1,2-diol
SMILESCCCCCCC#CC(C)(O)CO
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-11(2,13)10-12/h12-13H,3-7,10H2,1-2H3
InChIKeyLGSFCBAKGNRTON-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.70
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

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CID 102249526
3-methylundec-1-en-4-yn-3-ol
CID 121007343
2,2,3,3-tetramethyldodec-4-yne
CID 123959581
15-hydroxy-15-methylicos-13-yne-1-sulfonic acid
CID 87980050
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylhexadec-9-yn-8-ol
CID 164668183
2-methyltrideca-3,5-diyn-2-ol
CID 101092007
3-methyldodeca-4,6-diyn-3-ol
CID 134993954
3-(aminomethyl)-2,2-dimethylundec-4-yn-3-ol
CID 13113251
6-methyloct-4-yne-1,6-diol
CID 71443572
2-methylpent-3-yne-1,2,5-triol
CID 71361893

Frequently Asked Questions

What is the IUPAC name of 2-methyldec-3-yne-1,2-diol?
The IUPAC name of 2-methyldec-3-yne-1,2-diol (CID 121216457) is 2-methyldec-3-yne-1,2-diol.
What is the SMILES notation for 2-methyldec-3-yne-1,2-diol?
The canonical SMILES for 2-methyldec-3-yne-1,2-diol is CCCCCCC#CC(C)(O)CO.
What is the InChIKey of 2-methyldec-3-yne-1,2-diol?
The InChIKey is LGSFCBAKGNRTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-11(2,13)10-12/h12-13H,3-7,10H2,1-2H3.
What are the key properties of 2-methyldec-3-yne-1,2-diol?
2-methyldec-3-yne-1,2-diol has a molecular weight of 184.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldec-3-yne-1,2-diol is sourced from PubChem (CID 121216457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).