10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate

C14H14O2 — CID 23270979

IUPAC10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate
SMILESCC(=O)OC1C2CC3C(c4ccccc42)C31
InChIInChI=1S/C14H14O2/c1-7(15)16-14-10-6-11-12(13(11)14)9-5-3-2-4-8(9)10/h2-5,10-14H,6H2,1H3
InChIKeyOCYBXVQTHJEROW-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.45
Rot. Bonds1

About 10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate

10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate (PubChem CID 23270979) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate.

Molecular Properties

Compound Name10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate
PubChem CID23270979
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate
SMILESCC(=O)OC1C2CC3C(c4ccccc42)C31
InChIInChI=1S/C14H14O2/c1-7(15)16-14-10-6-11-12(13(11)14)9-5-3-2-4-8(9)10/h2-5,10-14H,6H2,1H3
InChIKeyOCYBXVQTHJEROW-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate?
The IUPAC name of 10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate (CID 23270979) is 10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate.
What is the SMILES notation for 10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate?
The canonical SMILES for 10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate is CC(=O)OC1C2CC3C(c4ccccc42)C31.
What is the InChIKey of 10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate?
The InChIKey is OCYBXVQTHJEROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-7(15)16-14-10-6-11-12(13(11)14)9-5-3-2-4-8(9)10/h2-5,10-14H,6H2,1H3.
What are the key properties of 10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate?
10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate has a molecular weight of 214.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate is sourced from PubChem (CID 23270979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).