(5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine

C11H18O — CID 167462499

IUPAC(5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine
SMILESC/C1=C/C=C\COCC(C)(C)C1
InChIInChI=1S/C11H18O/c1-10-6-4-5-7-12-9-11(2,3)8-10/h4-6H,7-9H2,1-3H3/b5-4-,10-6-
InChIKeyCKTKNTBBCJVNIG-ARSRRCBKSA-N
MW166.26 g/mol
LogP2.94
Rot. Bonds

About (5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine

(5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine (PubChem CID 167462499) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine.

Molecular Properties

Compound Name(5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine
PubChem CID167462499
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine
SMILESC/C1=C/C=C\COCC(C)(C)C1
InChIInChI=1S/C11H18O/c1-10-6-4-5-7-12-9-11(2,3)8-10/h4-6H,7-9H2,1-3H3/b5-4-,10-6-
InChIKeyCKTKNTBBCJVNIG-ARSRRCBKSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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magnesium;hydride;bis(1-methylcyclopenta-1,3-diene)
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(9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene
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copper;3,5,5-trimethylcyclohex-2-en-1-one
CID 159197874
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
CID 5367028
CID 70522560
CID 70522560
ethane;1-methylcyclohexa-1,3-diene
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CID 123605160

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine?
The IUPAC name of (5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine (CID 167462499) is (5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine.
What is the SMILES notation for (5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine?
The canonical SMILES for (5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine is C/C1=C/C=C\COCC(C)(C)C1.
What is the InChIKey of (5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine?
The InChIKey is CKTKNTBBCJVNIG-ARSRRCBKSA-N. The full InChI is InChI=1S/C11H18O/c1-10-6-4-5-7-12-9-11(2,3)8-10/h4-6H,7-9H2,1-3H3/b5-4-,10-6-.
What are the key properties of (5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine?
(5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine has a molecular weight of 166.26 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine is sourced from PubChem (CID 167462499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).