(2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one

C15H22O2 — CID 163188457

IUPAC(2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
SMILESCC1=CCC(C)(C)/C=C/C(=O)/C(C)=C/[C@H](O)C1
InChIInChI=1S/C15H22O2/c1-11-5-7-15(3,4)8-6-14(17)12(2)10-13(16)9-11/h5-6,8,10,13,16H,7,9H2,1-4H3/b8-6+,11-5?,12-10+/t13-/m1/s1
InChIKeyNBVYFPSAUFQMAK-JNZGSIKPSA-N
MW234.34 g/mol
LogP3.19
Rot. Bonds

About (2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one

(2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one (PubChem CID 163188457) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one.

Molecular Properties

Compound Name(2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
PubChem CID163188457
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
SMILESCC1=CCC(C)(C)/C=C/C(=O)/C(C)=C/[C@H](O)C1
InChIInChI=1S/C15H22O2/c1-11-5-7-15(3,4)8-6-14(17)12(2)10-13(16)9-11/h5-6,8,10,13,16H,7,9H2,1-4H3/b8-6+,11-5?,12-10+/t13-/m1/s1
InChIKeyNBVYFPSAUFQMAK-JNZGSIKPSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.19
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 (2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
The IUPAC name of (2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one (CID 163188457) is (2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one.
What is the SMILES notation for (2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
The canonical SMILES for (2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one is CC1=CCC(C)(C)/C=C/C(=O)/C(C)=C/[C@H](O)C1.
What is the InChIKey of (2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
The InChIKey is NBVYFPSAUFQMAK-JNZGSIKPSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-5-7-15(3,4)8-6-14(17)12(2)10-13(16)9-11/h5-6,8,10,13,16H,7,9H2,1-4H3/b8-6+,11-5?,12-10+/t13-/m1/s1.
What are the key properties of (2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
(2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one is sourced from PubChem (CID 163188457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).