(1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one

C14H10O2 — CID 101152217

IUPAC(1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one
SMILESO=C1c2occc2[C@@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C14H10O2/c15-13-12-7-11(10-5-6-16-14(10)13)8-3-1-2-4-9(8)12/h1-6,11-12H,7H2/t11-,12+/m1/s1
InChIKeyQBEATYGINOBTHD-NEPJUHHUSA-N
MW210.23 g/mol
LogP3.10
Rot. Bonds

About (1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one

(1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one (PubChem CID 101152217) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is (1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one.

Molecular Properties

Compound Name(1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one
PubChem CID101152217
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name(1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one
SMILESO=C1c2occc2[C@@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C14H10O2/c15-13-12-7-11(10-5-6-16-14(10)13)8-3-1-2-4-9(8)12/h1-6,11-12H,7H2/t11-,12+/m1/s1
InChIKeyQBEATYGINOBTHD-NEPJUHHUSA-N
XLogP3.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one?
The IUPAC name of (1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one (CID 101152217) is (1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one.
What is the SMILES notation for (1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one?
The canonical SMILES for (1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one is O=C1c2occc2[C@@H]2C[C@H]1c1ccccc12.
What is the InChIKey of (1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one?
The InChIKey is QBEATYGINOBTHD-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H10O2/c15-13-12-7-11(10-5-6-16-14(10)13)8-3-1-2-4-9(8)12/h1-6,11-12H,7H2/t11-,12+/m1/s1.
What are the key properties of (1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one?
(1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one has a molecular weight of 210.23 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one is sourced from PubChem (CID 101152217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).