5,5,6,6-tetramethylundec-3-yne-2,2-diol

C15H28O2 — CID 151913068

IUPAC5,5,6,6-tetramethylundec-3-yne-2,2-diol
SMILESCCCCCC(C)(C)C(C)(C)C#CC(C)(O)O
InChIInChI=1S/C15H28O2/c1-7-8-9-10-13(2,3)14(4,5)11-12-15(6,16)17/h16-17H,7-10H2,1-6H3
InChIKeySVEOWRPNKBEGTB-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.32
Rot. Bonds5

About 5,5,6,6-tetramethylundec-3-yne-2,2-diol

5,5,6,6-tetramethylundec-3-yne-2,2-diol (PubChem CID 151913068) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5,5,6,6-tetramethylundec-3-yne-2,2-diol.

Molecular Properties

Compound Name5,5,6,6-tetramethylundec-3-yne-2,2-diol
PubChem CID151913068
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5,5,6,6-tetramethylundec-3-yne-2,2-diol
SMILESCCCCCC(C)(C)C(C)(C)C#CC(C)(O)O
InChIInChI=1S/C15H28O2/c1-7-8-9-10-13(2,3)14(4,5)11-12-15(6,16)17/h16-17H,7-10H2,1-6H3
InChIKeySVEOWRPNKBEGTB-UHFFFAOYSA-N
XLogP3.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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
3,3,4,4-Tetramethyldec-1-yn-1-ol
CID 21951185
2,6,6-Trimethylundec-3-yn-2-ol
CID 22961919
5,5,6-Trimethyltridec-3-yne-2,2-diol
CID 87174978
3,3,4-Trimethyldodec-1-yn-1-ol
CID 87560494
5,5,6-Trimethylnon-3-yne-2,2-diol
CID 88052978
6,6,7-Triethyldodec-4-yne-3,3-diol
CID 140370120
12,12-Dimethyltridec-1-yn-1-ol
CID 140556520
5,7-Dimethyl-5-(2-methylpropyl)oct-3-yne-2,2-diol
CID 145724828
3-Methyl-3-propylhept-1-yn-1-ol
CID 150195189
6-Ethyl-6,7-dimethyldodec-4-yne-3,3-diol
CID 150290989
6-Ethyldodec-4-yne-3,3-diol
CID 150690033

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetramethylundec-3-yne-2,2-diol?
The IUPAC name of 5,5,6,6-tetramethylundec-3-yne-2,2-diol (CID 151913068) is 5,5,6,6-tetramethylundec-3-yne-2,2-diol.
What is the SMILES notation for 5,5,6,6-tetramethylundec-3-yne-2,2-diol?
The canonical SMILES for 5,5,6,6-tetramethylundec-3-yne-2,2-diol is CCCCCC(C)(C)C(C)(C)C#CC(C)(O)O.
What is the InChIKey of 5,5,6,6-tetramethylundec-3-yne-2,2-diol?
The InChIKey is SVEOWRPNKBEGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-7-8-9-10-13(2,3)14(4,5)11-12-15(6,16)17/h16-17H,7-10H2,1-6H3.
What are the key properties of 5,5,6,6-tetramethylundec-3-yne-2,2-diol?
5,5,6,6-tetramethylundec-3-yne-2,2-diol has a molecular weight of 240.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetramethylundec-3-yne-2,2-diol is sourced from PubChem (CID 151913068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).