(8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine

C8H14O3 — CID 129275772

IUPAC(8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine
SMILESC/C1=C(\C)OCCOCCO1
InChIInChI=1S/C8H14O3/c1-7-8(2)11-6-4-9-3-5-10-7/h3-6H2,1-2H3/b8-7-
InChIKeyHREPSGPVVDPUQD-FPLPWBNLSA-N
MW158.20 g/mol
LogP1.30
Rot. Bonds

About (8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine

(8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine (PubChem CID 129275772) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine.

Molecular Properties

Compound Name(8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine
PubChem CID129275772
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine
SMILESC/C1=C(\C)OCCOCCO1
InChIInChI=1S/C8H14O3/c1-7-8(2)11-6-4-9-3-5-10-7/h3-6H2,1-2H3/b8-7-
InChIKeyHREPSGPVVDPUQD-FPLPWBNLSA-N
XLogP1.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine?
The IUPAC name of (8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine (CID 129275772) is (8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine.
What is the SMILES notation for (8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine?
The canonical SMILES for (8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine is C/C1=C(\C)OCCOCCO1.
What is the InChIKey of (8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine?
The InChIKey is HREPSGPVVDPUQD-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H14O3/c1-7-8(2)11-6-4-9-3-5-10-7/h3-6H2,1-2H3/b8-7-.
What are the key properties of (8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine?
(8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine has a molecular weight of 158.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8,9-dimethyl-2,3,5,6-tetrahydro-1,4,7-trioxonine is sourced from PubChem (CID 129275772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).