(6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one

C20H30O2 — CID 162880011

IUPAC(6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
SMILESC=C/C(C)=C/C=C/[C@](C)(O)CC/C=C(\C)CC(=O)C=C(C)C
InChIInChI=1S/C20H30O2/c1-7-17(4)10-8-12-20(6,22)13-9-11-18(5)15-19(21)14-16(2)3/h7-8,10-12,14,22H,1,9,13,15H2,2-6H3/b12-8+,17-10+,18-11+/t20-/m0/s1
InChIKeyWUHOVSGGPXLETP-QEMIWNTCSA-N
MW302.46 g/mol
LogP5.08
Rot. Bonds9

About (6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one

(6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one (PubChem CID 162880011) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one.

Molecular Properties

Compound Name(6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
PubChem CID162880011
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
SMILESC=C/C(C)=C/C=C/[C@](C)(O)CC/C=C(\C)CC(=O)C=C(C)C
InChIInChI=1S/C20H30O2/c1-7-17(4)10-8-12-20(6,22)13-9-11-18(5)15-19(21)14-16(2)3/h7-8,10-12,14,22H,1,9,13,15H2,2-6H3/b12-8+,17-10+,18-11+/t20-/m0/s1
InChIKeyWUHOVSGGPXLETP-QEMIWNTCSA-N
XLogP5.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.08
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?
The IUPAC name of (6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one (CID 162880011) is (6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one.
What is the SMILES notation for (6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?
The canonical SMILES for (6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one is C=C/C(C)=C/C=C/[C@](C)(O)CC/C=C(\C)CC(=O)C=C(C)C.
What is the InChIKey of (6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?
The InChIKey is WUHOVSGGPXLETP-QEMIWNTCSA-N. The full InChI is InChI=1S/C20H30O2/c1-7-17(4)10-8-12-20(6,22)13-9-11-18(5)15-19(21)14-16(2)3/h7-8,10-12,14,22H,1,9,13,15H2,2-6H3/b12-8+,17-10+,18-11+/t20-/m0/s1.
What are the key properties of (6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?
(6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one has a molecular weight of 302.46 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10R,11E,13E)-10-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one is sourced from PubChem (CID 162880011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).