6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol

C13H20O — CID 154707186

IUPAC6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol
SMILESC=CC#CC(O)C(C)(C)CC=C(C)C
InChIInChI=1S/C13H20O/c1-6-7-8-12(14)13(4,5)10-9-11(2)3/h6,9,12,14H,1,10H2,2-5H3
InChIKeyFOXSXMMUBNJAQI-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.92
Rot. Bonds3

About 6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol

6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol (PubChem CID 154707186) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol.

Molecular Properties

Compound Name6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol
PubChem CID154707186
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol
SMILESC=CC#CC(O)C(C)(C)CC=C(C)C
InChIInChI=1S/C13H20O/c1-6-7-8-12(14)13(4,5)10-9-11(2)3/h6,9,12,14H,1,10H2,2-5H3
InChIKeyFOXSXMMUBNJAQI-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol?
The IUPAC name of 6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol (CID 154707186) is 6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol.
What is the SMILES notation for 6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol?
The canonical SMILES for 6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol is C=CC#CC(O)C(C)(C)CC=C(C)C.
What is the InChIKey of 6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol?
The InChIKey is FOXSXMMUBNJAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-6-7-8-12(14)13(4,5)10-9-11(2)3/h6,9,12,14H,1,10H2,2-5H3.
What are the key properties of 6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol?
6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol has a molecular weight of 192.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9-trimethyldeca-1,8-dien-3-yn-5-ol is sourced from PubChem (CID 154707186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).