2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol

C12H18O2 — CID 12813395

IUPAC2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol
SMILESC#CC(C)(CC)OCC#CC(C)(C)O
InChIInChI=1S/C12H18O2/c1-6-12(5,7-2)14-10-8-9-11(3,4)13/h1,13H,7,10H2,2-5H3
InChIKeyIDXUXFHKLDVLDF-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.58
Rot. Bonds3

About 2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol

2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol (PubChem CID 12813395) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol
PubChem CID12813395
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol
SMILESC#CC(C)(CC)OCC#CC(C)(C)O
InChIInChI=1S/C12H18O2/c1-6-12(5,7-2)14-10-8-9-11(3,4)13/h1,13H,7,10H2,2-5H3
InChIKeyIDXUXFHKLDVLDF-UHFFFAOYSA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-prop-2-ynoxypent-3-yn-2-ol
CID 71370387
2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol
CID 4670630
5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol
CID 40543849
10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane
CID 150438114
2-methylhept-3-yn-2-ol
CID 566135
2-(3,5-dimethylhex-1-yn-3-yloxy)ethanol;5-(2-hydroxyethoxy)-2,5-dimethylhex-3-yn-2-ol;2-[9-(2-hydroxyethoxy)-2,4,6,9,11,13-hexamethyltetradec-7-yn-6-yl]oxyethanol
CID 161270672
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
3-ethyl-5-methylhept-1-yn-3-ol
CID 557731
actinium;2-methylbut-3-yn-2-ol
CID 22980385
3-methylpent-1-yn-3-yl phosphoroso carbonate
CID 154976073
3,7-dimethylnon-1-yn-3-yl acetate
CID 131744189
3,4,4-trimethylhex-1-yn-3-ol
CID 18962694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol?
The IUPAC name of 2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol (CID 12813395) is 2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol.
What is the SMILES notation for 2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol?
The canonical SMILES for 2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol is C#CC(C)(CC)OCC#CC(C)(C)O.
What is the InChIKey of 2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol?
The InChIKey is IDXUXFHKLDVLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-6-12(5,7-2)14-10-8-9-11(3,4)13/h1,13H,7,10H2,2-5H3.
What are the key properties of 2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol?
2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol has a molecular weight of 194.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol is sourced from PubChem (CID 12813395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).