6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one

C15H28O2 — CID 20767047

IUPAC6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one
SMILESC=CCC(C)C(O)C(C)C(=O)C(C)(C)C(C)C
InChIInChI=1S/C15H28O2/c1-8-9-11(4)13(16)12(5)14(17)15(6,7)10(2)3/h8,10-13,16H,1,9H2,2-7H3
InChIKeyRTTKIWQBHBAYSY-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.45
Rot. Bonds7

About 6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one

6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one (PubChem CID 20767047) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one.

Molecular Properties

Compound Name6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one
PubChem CID20767047
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one
SMILESC=CCC(C)C(O)C(C)C(=O)C(C)(C)C(C)C
InChIInChI=1S/C15H28O2/c1-8-9-11(4)13(16)12(5)14(17)15(6,7)10(2)3/h8,10-13,16H,1,9H2,2-7H3
InChIKeyRTTKIWQBHBAYSY-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.45
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 6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one?
The IUPAC name of 6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one (CID 20767047) is 6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one.
What is the SMILES notation for 6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one?
The canonical SMILES for 6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one is C=CCC(C)C(O)C(C)C(=O)C(C)(C)C(C)C.
What is the InChIKey of 6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one?
The InChIKey is RTTKIWQBHBAYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-8-9-11(4)13(16)12(5)14(17)15(6,7)10(2)3/h8,10-13,16H,1,9H2,2-7H3.
What are the key properties of 6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one?
6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one has a molecular weight of 240.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,3,3,5,7-pentamethyldec-9-en-4-one is sourced from PubChem (CID 20767047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).