(E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one

C15H28O2 — CID 10586158

IUPAC(E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one
SMILESC/C(=C\CC[C@@H](C)CCO)CCC(=O)C(C)C
InChIInChI=1S/C15H28O2/c1-12(2)15(17)9-8-13(3)6-5-7-14(4)10-11-16/h6,12,14,16H,5,7-11H2,1-4H3/b13-6+/t14-/m1/s1
InChIKeyZBLUHRZSLLKYKF-YGLIYXGISA-N
MW240.39 g/mol
LogP3.74
Rot. Bonds9

About (E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one

(E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one (PubChem CID 10586158) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one.

Molecular Properties

Compound Name(E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one
PubChem CID10586158
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one
SMILESC/C(=C\CC[C@@H](C)CCO)CCC(=O)C(C)C
InChIInChI=1S/C15H28O2/c1-12(2)15(17)9-8-13(3)6-5-7-14(4)10-11-16/h6,12,14,16H,5,7-11H2,1-4H3/b13-6+/t14-/m1/s1
InChIKeyZBLUHRZSLLKYKF-YGLIYXGISA-N
XLogP3.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.74
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 (E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one?
The IUPAC name of (E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one (CID 10586158) is (E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one.
What is the SMILES notation for (E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one?
The canonical SMILES for (E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one is C/C(=C\CC[C@@H](C)CCO)CCC(=O)C(C)C.
What is the InChIKey of (E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one?
The InChIKey is ZBLUHRZSLLKYKF-YGLIYXGISA-N. The full InChI is InChI=1S/C15H28O2/c1-12(2)15(17)9-8-13(3)6-5-7-14(4)10-11-16/h6,12,14,16H,5,7-11H2,1-4H3/b13-6+/t14-/m1/s1.
What are the key properties of (E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one?
(E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one has a molecular weight of 240.39 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,10R)-12-hydroxy-2,6,10-trimethyldodec-6-en-3-one is sourced from PubChem (CID 10586158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).