1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone

C18H22O2 — CID 15344130

IUPAC1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C1(C)C3(C)CCC(C3)C1(C)O2
InChIInChI=1S/C18H22O2/c1-11(19)12-5-6-15-14(9-12)17(3)16(2)8-7-13(10-16)18(17,4)20-15/h5-6,9,13H,7-8,10H2,1-4H3
InChIKeyCIDZZTMQXAQLTK-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.12
Rot. Bonds1

About 1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone

1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone (PubChem CID 15344130) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone
PubChem CID15344130
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C1(C)C3(C)CCC(C3)C1(C)O2
InChIInChI=1S/C18H22O2/c1-11(19)12-5-6-15-14(9-12)17(3)16(2)8-7-13(10-16)18(17,4)20-15/h5-6,9,13H,7-8,10H2,1-4H3
InChIKeyCIDZZTMQXAQLTK-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone?
The IUPAC name of 1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone (CID 15344130) is 1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone.
What is the SMILES notation for 1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone?
The canonical SMILES for 1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone is CC(=O)c1ccc2c(c1)C1(C)C3(C)CCC(C3)C1(C)O2.
What is the InChIKey of 1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone?
The InChIKey is CIDZZTMQXAQLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-11(19)12-5-6-15-14(9-12)17(3)16(2)8-7-13(10-16)18(17,4)20-15/h5-6,9,13H,7-8,10H2,1-4H3.
What are the key properties of 1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone?
1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone has a molecular weight of 270.37 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,10-trimethyl-9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trien-5-yl)ethanone is sourced from PubChem (CID 15344130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).