(6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one

C15H24O2 — CID 5320333

IUPAC(6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one
SMILESC=CC(C)(O)CC/C=C(\C)CC(=O)C=C(C)C
InChIInChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3/b13-8+
InChIKeyNYBCPVODSGRKRC-MDWZMJQESA-N
MW236.35 g/mol
LogP3.58
Rot. Bonds7

About (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one

(6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one (PubChem CID 5320333) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one.

Molecular Properties

Compound Name(6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one
PubChem CID5320333
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one
SMILESC=CC(C)(O)CC/C=C(\C)CC(=O)C=C(C)C
InChIInChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3/b13-8+
InChIKeyNYBCPVODSGRKRC-MDWZMJQESA-N
XLogP3.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.58
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 (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one?
The IUPAC name of (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one (CID 5320333) is (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one.
What is the SMILES notation for (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one?
The canonical SMILES for (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one is C=CC(C)(O)CC/C=C(\C)CC(=O)C=C(C)C.
What is the InChIKey of (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one?
The InChIKey is NYBCPVODSGRKRC-MDWZMJQESA-N. The full InChI is InChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3/b13-8+.
What are the key properties of (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one?
(6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one has a molecular weight of 236.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one is sourced from PubChem (CID 5320333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).