(4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one

C15H26O2 — CID 134879223

IUPAC(4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one
SMILESCOCC(C)(C)[C@@H]1CC/C(C)=C/CCC(=O)C1
InChIInChI=1S/C15H26O2/c1-12-6-5-7-14(16)10-13(9-8-12)15(2,3)11-17-4/h6,13H,5,7-11H2,1-4H3/b12-6+/t13-/m1/s1
InChIKeyAWZZTKVTVRHLIF-XEVNVYFWSA-N
MW238.37 g/mol
LogP3.75
Rot. Bonds3

About (4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one

(4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one (PubChem CID 134879223) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one.

Molecular Properties

Compound Name(4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one
PubChem CID134879223
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one
SMILESCOCC(C)(C)[C@@H]1CC/C(C)=C/CCC(=O)C1
InChIInChI=1S/C15H26O2/c1-12-6-5-7-14(16)10-13(9-8-12)15(2,3)11-17-4/h6,13H,5,7-11H2,1-4H3/b12-6+/t13-/m1/s1
InChIKeyAWZZTKVTVRHLIF-XEVNVYFWSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.75
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 (4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one?
The IUPAC name of (4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one (CID 134879223) is (4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one.
What is the SMILES notation for (4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one?
The canonical SMILES for (4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one is COCC(C)(C)[C@@H]1CC/C(C)=C/CCC(=O)C1.
What is the InChIKey of (4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one?
The InChIKey is AWZZTKVTVRHLIF-XEVNVYFWSA-N. The full InChI is InChI=1S/C15H26O2/c1-12-6-5-7-14(16)10-13(9-8-12)15(2,3)11-17-4/h6,13H,5,7-11H2,1-4H3/b12-6+/t13-/m1/s1.
What are the key properties of (4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one?
(4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8R)-8-(1-methoxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one is sourced from PubChem (CID 134879223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).