2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol

C14H18O2 — CID 3704951

IUPAC2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol
SMILESC=C(C)C(C)(O)C#CC#CC(C)(O)C(=C)C
InChIInChI=1S/C14H18O2/c1-11(2)13(5,15)9-7-8-10-14(6,16)12(3)4/h15-16H,1,3H2,2,4-6H3
InChIKeyJUVSIRBVIVBQIZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.65
Rot. Bonds2

About 2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol

2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol (PubChem CID 3704951) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol.

Molecular Properties

Compound Name2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol
PubChem CID3704951
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol
SMILESC=C(C)C(C)(O)C#CC#CC(C)(O)C(=C)C
InChIInChI=1S/C14H18O2/c1-11(2)13(5,15)9-7-8-10-14(6,16)12(3)4/h15-16H,1,3H2,2,4-6H3
InChIKeyJUVSIRBVIVBQIZ-UHFFFAOYSA-N
XLogP1.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol?
The IUPAC name of 2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol (CID 3704951) is 2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol.
What is the SMILES notation for 2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol?
The canonical SMILES for 2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol is C=C(C)C(C)(O)C#CC#CC(C)(O)C(=C)C.
What is the InChIKey of 2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol?
The InChIKey is JUVSIRBVIVBQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11(2)13(5,15)9-7-8-10-14(6,16)12(3)4/h15-16H,1,3H2,2,4-6H3.
What are the key properties of 2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol?
2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol has a molecular weight of 218.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol is sourced from PubChem (CID 3704951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).