7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol

C15H20O4 — CID 162973233

IUPAC7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol
SMILESCC=CC=CC=CC12OCCC3OCC(O)(CO1)C32
InChIInChI=1S/C15H20O4/c1-2-3-4-5-6-8-15-13-12(7-9-18-15)17-10-14(13,16)11-19-15/h2-6,8,12-13,16H,7,9-11H2,1H3
InChIKeyBUGIOXBGPVUSDA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.57
Rot. Bonds3

About 7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol

7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol (PubChem CID 162973233) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol.

Molecular Properties

Compound Name7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol
PubChem CID162973233
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol
SMILESCC=CC=CC=CC12OCCC3OCC(O)(CO1)C32
InChIInChI=1S/C15H20O4/c1-2-3-4-5-6-8-15-13-12(7-9-18-15)17-10-14(13,16)11-19-15/h2-6,8,12-13,16H,7,9-11H2,1H3
InChIKeyBUGIOXBGPVUSDA-UHFFFAOYSA-N
XLogP1.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol?
The IUPAC name of 7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol (CID 162973233) is 7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol.
What is the SMILES notation for 7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol?
The canonical SMILES for 7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol is CC=CC=CC=CC12OCCC3OCC(O)(CO1)C32.
What is the InChIKey of 7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol?
The InChIKey is BUGIOXBGPVUSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-3-4-5-6-8-15-13-12(7-9-18-15)17-10-14(13,16)11-19-15/h2-6,8,12-13,16H,7,9-11H2,1H3.
What are the key properties of 7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol?
7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol has a molecular weight of 264.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hepta-1,3,5-trienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol is sourced from PubChem (CID 162973233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).