3,3,7-trimethyldodec-1-yn-1-ol

C15H28O — CID 151233955

IUPAC3,3,7-trimethyldodec-1-yn-1-ol
SMILESCCCCCC(C)CCCC(C)(C)C#CO
InChIInChI=1S/C15H28O/c1-5-6-7-9-14(2)10-8-11-15(3,4)12-13-16/h14,16H,5-11H2,1-4H3
InChIKeyNOWNPDOOCNEWNK-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.73
Rot. Bonds8

About 3,3,7-trimethyldodec-1-yn-1-ol

3,3,7-trimethyldodec-1-yn-1-ol (PubChem CID 151233955) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,3,7-trimethyldodec-1-yn-1-ol.

Molecular Properties

Compound Name3,3,7-trimethyldodec-1-yn-1-ol
PubChem CID151233955
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3,3,7-trimethyldodec-1-yn-1-ol
SMILESCCCCCC(C)CCCC(C)(C)C#CO
InChIInChI=1S/C15H28O/c1-5-6-7-9-14(2)10-8-11-15(3,4)12-13-16/h14,16H,5-11H2,1-4H3
InChIKeyNOWNPDOOCNEWNK-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

5,5,6-Trimethylundec-3-yne-2,2-diol
CID 20837618
Butylpentynol
CID 129819191
Cyclohexyl-hexin-ol
CID 129634543
Cyclopentyl-pentin-ol
CID 129634544
Methyl-nonin-ol
CID 129634552
Cyclohexyl-pentin-ol
CID 129634554
Methyl-decin-ol
CID 129634558
3,7,11-Trimethyldodec-1-yn-1-ol
CID 15894901
3-Cyclohexylbut-1-yn-1-ol
CID 18801125
3,7-Dimethyloct-1-yn-1-ol
CID 20441941
Isononynol
CID 20565036
3-Ethyloct-1-yn-1-ol
CID 21116884

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyldodec-1-yn-1-ol?
The IUPAC name of 3,3,7-trimethyldodec-1-yn-1-ol (CID 151233955) is 3,3,7-trimethyldodec-1-yn-1-ol.
What is the SMILES notation for 3,3,7-trimethyldodec-1-yn-1-ol?
The canonical SMILES for 3,3,7-trimethyldodec-1-yn-1-ol is CCCCCC(C)CCCC(C)(C)C#CO.
What is the InChIKey of 3,3,7-trimethyldodec-1-yn-1-ol?
The InChIKey is NOWNPDOOCNEWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-6-7-9-14(2)10-8-11-15(3,4)12-13-16/h14,16H,5-11H2,1-4H3.
What are the key properties of 3,3,7-trimethyldodec-1-yn-1-ol?
3,3,7-trimethyldodec-1-yn-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyldodec-1-yn-1-ol is sourced from PubChem (CID 151233955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).