2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol

C13H20O2 — CID 134884787

IUPAC2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol
SMILESCC(=C=C(C)C(C)(C)O)C#CC(C)(C)O
InChIInChI=1S/C13H20O2/c1-10(7-8-12(3,4)14)9-11(2)13(5,6)15/h14-15H,1-6H3
InChIKeySIDIAKPOQCROPQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.02
Rot. Bonds1

About 2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol

2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol (PubChem CID 134884787) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol.

Molecular Properties

Compound Name2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol
PubChem CID134884787
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol
SMILESCC(=C=C(C)C(C)(C)O)C#CC(C)(C)O
InChIInChI=1S/C13H20O2/c1-10(7-8-12(3,4)14)9-11(2)13(5,6)15/h14-15H,1-6H3
InChIKeySIDIAKPOQCROPQ-UHFFFAOYSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethylnon-1-en-4-yn-3-ol
CID 129878749
4-Octyn-3-ol, 3-methyl-6-methylene-
CID 170304
4,6,7-Trimethylocta-4,5-dien-2-yne-1,7-diol
CID 10921119
5-Butyl-2,3,8-trimethylnona-3,4-dien-6-yne-2,8-diol
CID 11054079
2,3-Dimethylundec-1-en-4,6-diyne-3-ol
CID 129809444
2,3-Dimethyltridec-1-ene-4,6,8-triyne-3-ol
CID 129878728
2,3,8,9-Tetramethyldeca-1,9-diene-4,6-diyne-3,8-diol
CID 3704951
2,3,5-Trimethylhexa-3,4-dien-2-ol
CID 20765050
2-Methylpent-3-yn-2-ol;2,3,4-trimethylpent-3-en-2-ol
CID 161805568
(3R,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol
CID 7038930
(3R,8R)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol
CID 7038931
(3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol
CID 7038932

Frequently Asked Questions

What is the IUPAC name of 2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol?
The IUPAC name of 2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol (CID 134884787) is 2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol.
What is the SMILES notation for 2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol?
The canonical SMILES for 2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol is CC(=C=C(C)C(C)(C)O)C#CC(C)(C)O.
What is the InChIKey of 2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol?
The InChIKey is SIDIAKPOQCROPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(7-8-12(3,4)14)9-11(2)13(5,6)15/h14-15H,1-6H3.
What are the key properties of 2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol?
2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol has a molecular weight of 208.30 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,8-tetramethylnona-3,4-dien-6-yne-2,8-diol is sourced from PubChem (CID 134884787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).