12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene

C16H14O3 — CID 10634677

IUPAC12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene
SMILESCCOC1COC2=C(O1)c1cccc3cccc2c13
InChIInChI=1S/C16H14O3/c1-2-17-13-9-18-15-11-7-3-5-10-6-4-8-12(14(10)11)16(15)19-13/h3-8,13H,2,9H2,1H3
InChIKeyGAKOIXVDTIAXAF-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.39
Rot. Bonds2

About 12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene

12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene (PubChem CID 10634677) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene.

Molecular Properties

Compound Name12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene
PubChem CID10634677
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene
SMILESCCOC1COC2=C(O1)c1cccc3cccc2c13
InChIInChI=1S/C16H14O3/c1-2-17-13-9-18-15-11-7-3-5-10-6-4-8-12(14(10)11)16(15)19-13/h3-8,13H,2,9H2,1H3
InChIKeyGAKOIXVDTIAXAF-UHFFFAOYSA-N
XLogP3.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene?
The IUPAC name of 12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene (CID 10634677) is 12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene.
What is the SMILES notation for 12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene?
The canonical SMILES for 12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene is CCOC1COC2=C(O1)c1cccc3cccc2c13.
What is the InChIKey of 12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene?
The InChIKey is GAKOIXVDTIAXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-17-13-9-18-15-11-7-3-5-10-6-4-8-12(14(10)11)16(15)19-13/h3-8,13H,2,9H2,1H3.
What are the key properties of 12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene?
12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene has a molecular weight of 254.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethoxy-11,14-dioxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15)-hexaene is sourced from PubChem (CID 10634677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).