(5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine

C11H20O2 — CID 134858500

IUPAC(5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine
SMILESCOCC1C/C(C)=C\CCC(C)O1
InChIInChI=1S/C11H20O2/c1-9-5-4-6-10(2)13-11(7-9)8-12-3/h5,10-11H,4,6-8H2,1-3H3/b9-5-
InChIKeyBXTSBFVSYPIGCS-UITAMQMPSA-N
MW184.28 g/mol
LogP2.54
Rot. Bonds2

About (5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine

(5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine (PubChem CID 134858500) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine.

Molecular Properties

Compound Name(5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine
PubChem CID134858500
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine
SMILESCOCC1C/C(C)=C\CCC(C)O1
InChIInChI=1S/C11H20O2/c1-9-5-4-6-10(2)13-11(7-9)8-12-3/h5,10-11H,4,6-8H2,1-3H3/b9-5-
InChIKeyBXTSBFVSYPIGCS-UITAMQMPSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine?
The IUPAC name of (5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine (CID 134858500) is (5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine.
What is the SMILES notation for (5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine?
The canonical SMILES for (5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine is COCC1C/C(C)=C\CCC(C)O1.
What is the InChIKey of (5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine?
The InChIKey is BXTSBFVSYPIGCS-UITAMQMPSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-5-4-6-10(2)13-11(7-9)8-12-3/h5,10-11H,4,6-8H2,1-3H3/b9-5-.
What are the key properties of (5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine?
(5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine has a molecular weight of 184.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-8-(methoxymethyl)-2,6-dimethyl-3,4,7,8-tetrahydro-2H-oxocine is sourced from PubChem (CID 134858500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).