(6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one

C10H16O2 — CID 163004746

IUPAC(6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one
SMILESC=C[C@@](C)(O)CC(=O)C=C(C)C
InChIInChI=1S/C10H16O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5-6,12H,1,7H2,2-4H3/t10-/m1/s1
InChIKeyILDAKDTXKZPGJC-SNVBAGLBSA-N
MW168.24 g/mol
LogP1.85
Rot. Bonds4

About (6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one

(6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one (PubChem CID 163004746) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one.

Molecular Properties

Compound Name(6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one
PubChem CID163004746
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one
SMILESC=C[C@@](C)(O)CC(=O)C=C(C)C
InChIInChI=1S/C10H16O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5-6,12H,1,7H2,2-4H3/t10-/m1/s1
InChIKeyILDAKDTXKZPGJC-SNVBAGLBSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one?
The IUPAC name of (6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one (CID 163004746) is (6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one.
What is the SMILES notation for (6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one?
The canonical SMILES for (6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one is C=C[C@@](C)(O)CC(=O)C=C(C)C.
What is the InChIKey of (6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one?
The InChIKey is ILDAKDTXKZPGJC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5-6,12H,1,7H2,2-4H3/t10-/m1/s1.
What are the key properties of (6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one?
(6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one has a molecular weight of 168.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one is sourced from PubChem (CID 163004746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).