(6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one

C15H24O2 — CID 163058728

IUPAC(6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one
SMILESC=C[C@@](C)(O)CC/C=C(\C)C(=O)CC=C(C)C
InChIInChI=1S/C15H24O2/c1-6-15(5,17)11-7-8-13(4)14(16)10-9-12(2)3/h6,8-9,17H,1,7,10-11H2,2-5H3/b13-8+/t15-/m1/s1
InChIKeyMUORSVLFTLIZJO-XETPBLJFSA-N
MW236.35 g/mol
LogP3.58
Rot. Bonds7

About (6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one

(6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one (PubChem CID 163058728) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one.

Molecular Properties

Compound Name(6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one
PubChem CID163058728
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one
SMILESC=C[C@@](C)(O)CC/C=C(\C)C(=O)CC=C(C)C
InChIInChI=1S/C15H24O2/c1-6-15(5,17)11-7-8-13(4)14(16)10-9-12(2)3/h6,8-9,17H,1,7,10-11H2,2-5H3/b13-8+/t15-/m1/s1
InChIKeyMUORSVLFTLIZJO-XETPBLJFSA-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,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one?
The IUPAC name of (6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one (CID 163058728) is (6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one.
What is the SMILES notation for (6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one?
The canonical SMILES for (6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one is C=C[C@@](C)(O)CC/C=C(\C)C(=O)CC=C(C)C.
What is the InChIKey of (6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one?
The InChIKey is MUORSVLFTLIZJO-XETPBLJFSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-15(5,17)11-7-8-13(4)14(16)10-9-12(2)3/h6,8-9,17H,1,7,10-11H2,2-5H3/b13-8+/t15-/m1/s1.
What are the key properties of (6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one?
(6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-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,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-one is sourced from PubChem (CID 163058728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).