2,2,9,9-tetramethyldeca-5,7-diyn-4-ol

C14H22O — CID 15939975

IUPAC2,2,9,9-tetramethyldeca-5,7-diyn-4-ol
SMILESCC(C)(C)C#CC#CC(O)CC(C)(C)C
InChIInChI=1S/C14H22O/c1-13(2,3)10-8-7-9-12(15)11-14(4,5)6/h12,15H,11H2,1-6H3
InChIKeyLLXZMTUJPSLDES-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.84
Rot. Bonds1

About 2,2,9,9-tetramethyldeca-5,7-diyn-4-ol

2,2,9,9-tetramethyldeca-5,7-diyn-4-ol (PubChem CID 15939975) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,2,9,9-tetramethyldeca-5,7-diyn-4-ol.

Molecular Properties

Compound Name2,2,9,9-tetramethyldeca-5,7-diyn-4-ol
PubChem CID15939975
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,2,9,9-tetramethyldeca-5,7-diyn-4-ol
SMILESCC(C)(C)C#CC#CC(O)CC(C)(C)C
InChIInChI=1S/C14H22O/c1-13(2,3)10-8-7-9-12(15)11-14(4,5)6/h12,15H,11H2,1-6H3
InChIKeyLLXZMTUJPSLDES-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.84
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 98265
4,4-Dimethylpentan-2-ol
CID 110789
5-(1,1-Dimethylethyl)-3-octyne-2,5-diol
CID 86071809
2,2,4,4-Tetramethylpentan-3-ol
CID 139790
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
2,2-Dimethylhex-5-yn-1-ol
CID 54751861
2-Methyl-5-octyn-4-ol
CID 143720
2,2,5,5-Tetramethyl-3-hexanol
CID 230736
4,4-Dimethyl-3-hexanol
CID 519670
5,5-Dimethyl-2-hexanol
CID 520545
5-Methyloct-3-yne-1,5-diol
CID 15261
2,2,5-Trimethylhexan-3-ol
CID 4372293

Frequently Asked Questions

What is the IUPAC name of 2,2,9,9-tetramethyldeca-5,7-diyn-4-ol?
The IUPAC name of 2,2,9,9-tetramethyldeca-5,7-diyn-4-ol (CID 15939975) is 2,2,9,9-tetramethyldeca-5,7-diyn-4-ol.
What is the SMILES notation for 2,2,9,9-tetramethyldeca-5,7-diyn-4-ol?
The canonical SMILES for 2,2,9,9-tetramethyldeca-5,7-diyn-4-ol is CC(C)(C)C#CC#CC(O)CC(C)(C)C.
What is the InChIKey of 2,2,9,9-tetramethyldeca-5,7-diyn-4-ol?
The InChIKey is LLXZMTUJPSLDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-12(15)11-14(4,5)6/h12,15H,11H2,1-6H3.
What are the key properties of 2,2,9,9-tetramethyldeca-5,7-diyn-4-ol?
2,2,9,9-tetramethyldeca-5,7-diyn-4-ol has a molecular weight of 206.33 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,9,9-tetramethyldeca-5,7-diyn-4-ol is sourced from PubChem (CID 15939975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).