15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one

C14H18O2 — CID 135009609

IUPAC15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one
SMILESO=C1C2=C(CCCC2)C2CC3CCCC13O2
InChIInChI=1S/C14H18O2/c15-13-11-6-2-1-5-10(11)12-8-9-4-3-7-14(9,13)16-12/h9,12H,1-8H2
InChIKeyOKELLSIEKKDIGN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.77
Rot. Bonds

About 15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one

15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one (PubChem CID 135009609) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one.

Molecular Properties

Compound Name15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one
PubChem CID135009609
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one
SMILESO=C1C2=C(CCCC2)C2CC3CCCC13O2
InChIInChI=1S/C14H18O2/c15-13-11-6-2-1-5-10(11)12-8-9-4-3-7-14(9,13)16-12/h9,12H,1-8H2
InChIKeyOKELLSIEKKDIGN-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Prop-2-enyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 134965005
1,2,3,7,8,8a-Hexahydro-6H-3a,7-epoxyazulen-6-one
CID 12789276
4-Methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 14315361
(1S,5S,7R)-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 56594803
(1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 102430835
8-Methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 130036456
6-Methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 130036457
(1S,5S,6R,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 130870804
(1S,5S,7R)-8-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 130956159

Frequently Asked Questions

What is the IUPAC name of 15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one?
The IUPAC name of 15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one (CID 135009609) is 15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one.
What is the SMILES notation for 15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one?
The canonical SMILES for 15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one is O=C1C2=C(CCCC2)C2CC3CCCC13O2.
What is the InChIKey of 15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one?
The InChIKey is OKELLSIEKKDIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-13-11-6-2-1-5-10(11)12-8-9-4-3-7-14(9,13)16-12/h9,12H,1-8H2.
What are the key properties of 15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one?
15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one is sourced from PubChem (CID 135009609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).