3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol

C15H26O2 — CID 71360372

IUPAC3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol
SMILESC=CC(C)(O)CCC=C(C)CC(O)C=C(C)C
InChIInChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,14,16-17H,1,7,9,11H2,2-5H3
InChIKeyTZCKNDPYYKEPHO-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.37
Rot. Bonds7

About 3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol

3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol (PubChem CID 71360372) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol
PubChem CID71360372
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol
SMILESC=CC(C)(O)CCC=C(C)CC(O)C=C(C)C
InChIInChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,14,16-17H,1,7,9,11H2,2-5H3
InChIKeyTZCKNDPYYKEPHO-UHFFFAOYSA-N
XLogP3.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol?
The IUPAC name of 3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol (CID 71360372) is 3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol.
What is the SMILES notation for 3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol?
The canonical SMILES for 3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol is C=CC(C)(O)CCC=C(C)CC(O)C=C(C)C.
What is the InChIKey of 3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol?
The InChIKey is TZCKNDPYYKEPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,14,16-17H,1,7,9,11H2,2-5H3.
What are the key properties of 3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol?
3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol has a molecular weight of 238.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol is sourced from PubChem (CID 71360372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).