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

C14H24O2 — CID 24827684

IUPAC(4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one
SMILESC/C1=C\CCC(=O)C[C@H](C(C)(C)CO)CC1
InChIInChI=1S/C14H24O2/c1-11-5-4-6-13(16)9-12(8-7-11)14(2,3)10-15/h5,12,15H,4,6-10H2,1-3H3/b11-5+/t12-/m1/s1
InChIKeyPGWNQLFVWFDFND-JXDHDYMSSA-N
MW224.34 g/mol
LogP3.10
Rot. Bonds2

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

(4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one (PubChem CID 24827684) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one.

Molecular Properties

Compound Name(4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one
PubChem CID24827684
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one
SMILESC/C1=C\CCC(=O)C[C@H](C(C)(C)CO)CC1
InChIInChI=1S/C14H24O2/c1-11-5-4-6-13(16)9-12(8-7-11)14(2,3)10-15/h5,12,15H,4,6-10H2,1-3H3/b11-5+/t12-/m1/s1
InChIKeyPGWNQLFVWFDFND-JXDHDYMSSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
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-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one?
The IUPAC name of (4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one (CID 24827684) is (4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one.
What is the SMILES notation for (4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one?
The canonical SMILES for (4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one is C/C1=C\CCC(=O)C[C@H](C(C)(C)CO)CC1.
What is the InChIKey of (4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one?
The InChIKey is PGWNQLFVWFDFND-JXDHDYMSSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-5-4-6-13(16)9-12(8-7-11)14(2,3)10-15/h5,12,15H,4,6-10H2,1-3H3/b11-5+/t12-/m1/s1.
What are the key properties of (4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one?
(4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8R)-8-(1-hydroxy-2-methylpropan-2-yl)-5-methylcyclonon-4-en-1-one is sourced from PubChem (CID 24827684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).