(6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine

C9H14O2 — CID 10844604

IUPAC(6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine
SMILESCC1=C/OCCCO/C(C)=C\1
InChIInChI=1S/C9H14O2/c1-8-6-9(2)11-5-3-4-10-7-8/h6-7H,3-5H2,1-2H3/b8-7-,9-6-
InChIKeyQBSGHZJBEFOKJN-QOCNPQIPSA-N
MW154.21 g/mol
LogP2.23
Rot. Bonds

About (6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine

(6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine (PubChem CID 10844604) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine.

Molecular Properties

Compound Name(6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine
PubChem CID10844604
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine
SMILESCC1=C/OCCCO/C(C)=C\1
InChIInChI=1S/C9H14O2/c1-8-6-9(2)11-5-3-4-10-7-8/h6-7H,3-5H2,1-2H3/b8-7-,9-6-
InChIKeyQBSGHZJBEFOKJN-QOCNPQIPSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12602857
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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine?
The IUPAC name of (6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine (CID 10844604) is (6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine.
What is the SMILES notation for (6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine?
The canonical SMILES for (6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine is CC1=C/OCCCO/C(C)=C\1.
What is the InChIKey of (6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine?
The InChIKey is QBSGHZJBEFOKJN-QOCNPQIPSA-N. The full InChI is InChI=1S/C9H14O2/c1-8-6-9(2)11-5-3-4-10-7-8/h6-7H,3-5H2,1-2H3/b8-7-,9-6-.
What are the key properties of (6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine?
(6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine has a molecular weight of 154.21 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine is sourced from PubChem (CID 10844604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).