(6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one

C10H18O2 — CID 90246590

IUPAC(6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one
SMILESC=C[C@H](C)CC(=O)CC(C)(C)O
InChIInChI=1S/C10H18O2/c1-5-8(2)6-9(11)7-10(3,4)12/h5,8,12H,1,6-7H2,2-4H3/t8-/m0/s1
InChIKeyWNALYPLUEBXVSC-QMMMGPOBSA-N
MW170.25 g/mol
LogP1.93
Rot. Bonds5

About (6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one

(6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one (PubChem CID 90246590) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one.

Molecular Properties

Compound Name(6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one
PubChem CID90246590
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one
SMILESC=C[C@H](C)CC(=O)CC(C)(C)O
InChIInChI=1S/C10H18O2/c1-5-8(2)6-9(11)7-10(3,4)12/h5,8,12H,1,6-7H2,2-4H3/t8-/m0/s1
InChIKeyWNALYPLUEBXVSC-QMMMGPOBSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.93
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 (6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one?
The IUPAC name of (6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one (CID 90246590) is (6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one.
What is the SMILES notation for (6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one?
The canonical SMILES for (6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one is C=C[C@H](C)CC(=O)CC(C)(C)O.
What is the InChIKey of (6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one?
The InChIKey is WNALYPLUEBXVSC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-8(2)6-9(11)7-10(3,4)12/h5,8,12H,1,6-7H2,2-4H3/t8-/m0/s1.
What are the key properties of (6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one?
(6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one has a molecular weight of 170.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-hydroxy-2,6-dimethyloct-7-en-4-one is sourced from PubChem (CID 90246590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).