8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol

C14H14O3 — CID 57059570

IUPAC8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol
SMILESOC1CC=CC2=COCOC3C=CC=CC3=C21
InChIInChI=1S/C14H14O3/c15-12-6-3-4-10-8-16-9-17-13-7-2-1-5-11(13)14(10)12/h1-5,7-8,12-13,15H,6,9H2
InChIKeyWFVNKAIBRRPMSY-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.99
Rot. Bonds

About 8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol

8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol (PubChem CID 57059570) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol.

Molecular Properties

Compound Name8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol
PubChem CID57059570
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol
SMILESOC1CC=CC2=COCOC3C=CC=CC3=C21
InChIInChI=1S/C14H14O3/c15-12-6-3-4-10-8-16-9-17-13-7-2-1-5-11(13)14(10)12/h1-5,7-8,12-13,15H,6,9H2
InChIKeyWFVNKAIBRRPMSY-UHFFFAOYSA-N
XLogP1.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol?
The IUPAC name of 8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol (CID 57059570) is 8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol.
What is the SMILES notation for 8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol?
The canonical SMILES for 8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol is OC1CC=CC2=COCOC3C=CC=CC3=C21.
What is the InChIKey of 8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol?
The InChIKey is WFVNKAIBRRPMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c15-12-6-3-4-10-8-16-9-17-13-7-2-1-5-11(13)14(10)12/h1-5,7-8,12-13,15H,6,9H2.
What are the key properties of 8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol?
8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol has a molecular weight of 230.26 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13-pentaen-16-ol is sourced from PubChem (CID 57059570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).