[(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol

C15H24O — CID 5352485

IUPAC[(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol
SMILESC/C1=C\CC/C(C)=C/CC(C)(CO)/C=C/C1
InChIInChI=1S/C15H24O/c1-13-6-4-7-14(2)9-11-15(3,12-16)10-5-8-13/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3/b10-5+,13-6+,14-9+
InChIKeyYLOBZQJVNNUEPZ-NYAJVKMDSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds1

About [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol

[(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol (PubChem CID 5352485) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol.

Molecular Properties

Compound Name[(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol
PubChem CID5352485
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol
SMILESC/C1=C\CC/C(C)=C/CC(C)(CO)/C=C/C1
InChIInChI=1S/C15H24O/c1-13-6-4-7-14(2)9-11-15(3,12-16)10-5-8-13/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3/b10-5+,13-6+,14-9+
InChIKeyYLOBZQJVNNUEPZ-NYAJVKMDSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol?
The IUPAC name of [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol (CID 5352485) is [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol.
What is the SMILES notation for [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol?
The canonical SMILES for [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol is C/C1=C\CC/C(C)=C/CC(C)(CO)/C=C/C1.
What is the InChIKey of [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol?
The InChIKey is YLOBZQJVNNUEPZ-NYAJVKMDSA-N. The full InChI is InChI=1S/C15H24O/c1-13-6-4-7-14(2)9-11-15(3,12-16)10-5-8-13/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3/b10-5+,13-6+,14-9+.
What are the key properties of [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol?
[(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol has a molecular weight of 220.36 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol is sourced from PubChem (CID 5352485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).