2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol

C15H20O — CID 134106167

IUPAC2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol
SMILESC#CC(C)(C)C#CC(C)(C)C#CC(C)(C)O
InChIInChI=1S/C15H20O/c1-8-13(2,3)9-10-14(4,5)11-12-15(6,7)16/h1,16H,2-7H3
InChIKeyIJUCDNHTDUXDMP-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.45
Rot. Bonds

About 2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol

2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol (PubChem CID 134106167) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol.

Molecular Properties

Compound Name2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol
PubChem CID134106167
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol
SMILESC#CC(C)(C)C#CC(C)(C)C#CC(C)(C)O
InChIInChI=1S/C15H20O/c1-8-13(2,3)9-10-14(4,5)11-12-15(6,7)16/h1,16H,2-7H3
InChIKeyIJUCDNHTDUXDMP-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 22980385
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CID 164681524
CID 164681524
2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol
CID 12813395
2-methyl-5-prop-2-ynoxypent-3-yn-2-ol
CID 71370387
(2S)-2-methylbut-3-yne-1,1,2-triol
CID 164820641
2,3-difluoropent-4-yne-2,3-diol
CID 91222968
1-methoxy-2,5-dimethylhex-3-yne-2,5-diol
CID 59445912
cobalt;3,3-dimethylbut-1-yne;methanone
CID 175068108
3,3-dimethylbut-1-yne chloride
CID 131726738
2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol
CID 4670630
7,7,7-trifluoro-2-methylhepta-3,5-diyn-2-ol
CID 13418312

Frequently Asked Questions

What is the IUPAC name of 2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol?
The IUPAC name of 2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol (CID 134106167) is 2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol.
What is the SMILES notation for 2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol?
The canonical SMILES for 2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol is C#CC(C)(C)C#CC(C)(C)C#CC(C)(C)O.
What is the InChIKey of 2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol?
The InChIKey is IJUCDNHTDUXDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-8-13(2,3)9-10-14(4,5)11-12-15(6,7)16/h1,16H,2-7H3.
What are the key properties of 2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol?
2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol has a molecular weight of 216.32 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol is sourced from PubChem (CID 134106167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).