(6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one

C15H26O2 — CID 162973832

IUPAC(6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one
SMILESC=C[C@@](C)(O)CCC[C@@H](C)CC(=O)C=C(C)C
InChIInChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,10,13,17H,1,7-9,11H2,2-5H3/t13-,15-/m1/s1
InChIKeyVQLQYAMTNKORFK-UKRRQHHQSA-N
MW238.37 g/mol
LogP3.66
Rot. Bonds8

About (6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one

(6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one (PubChem CID 162973832) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one.

Molecular Properties

Compound Name(6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one
PubChem CID162973832
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one
SMILESC=C[C@@](C)(O)CCC[C@@H](C)CC(=O)C=C(C)C
InChIInChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,10,13,17H,1,7-9,11H2,2-5H3/t13-,15-/m1/s1
InChIKeyVQLQYAMTNKORFK-UKRRQHHQSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.66
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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Related Compounds

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CID 10060039

Frequently Asked Questions

What is the IUPAC name of (6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one?
The IUPAC name of (6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one (CID 162973832) is (6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one.
What is the SMILES notation for (6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one?
The canonical SMILES for (6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one is C=C[C@@](C)(O)CCC[C@@H](C)CC(=O)C=C(C)C.
What is the InChIKey of (6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one?
The InChIKey is VQLQYAMTNKORFK-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,10,13,17H,1,7-9,11H2,2-5H3/t13-,15-/m1/s1.
What are the key properties of (6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one?
(6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one has a molecular weight of 238.37 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one is sourced from PubChem (CID 162973832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).