(2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one

C17H29NO — CID 52941964

IUPAC(2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
SMILESC/C1=C\CC(C)(C)/C=C/C(=O)[C@H](C)[C@H](N(C)C)CC1
InChIInChI=1S/C17H29NO/c1-13-7-8-15(18(5)6)14(2)16(19)10-12-17(3,4)11-9-13/h9-10,12,14-15H,7-8,11H2,1-6H3/b12-10+,13-9+/t14-,15-/m1/s1
InChIKeyFEZLUHCBKQLEIP-HLAZLLISSA-N
MW263.43 g/mol
LogP3.83
Rot. Bonds1

About (2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one

(2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one (PubChem CID 52941964) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is (2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one.

Molecular Properties

Compound Name(2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
PubChem CID52941964
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name(2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
SMILESC/C1=C\CC(C)(C)/C=C/C(=O)[C@H](C)[C@H](N(C)C)CC1
InChIInChI=1S/C17H29NO/c1-13-7-8-15(18(5)6)14(2)16(19)10-12-17(3,4)11-9-13/h9-10,12,14-15H,7-8,11H2,1-6H3/b12-10+,13-9+/t14-,15-/m1/s1
InChIKeyFEZLUHCBKQLEIP-HLAZLLISSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
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 (2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The IUPAC name of (2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one (CID 52941964) is (2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one.
What is the SMILES notation for (2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The canonical SMILES for (2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one is C/C1=C\CC(C)(C)/C=C/C(=O)[C@H](C)[C@H](N(C)C)CC1.
What is the InChIKey of (2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The InChIKey is FEZLUHCBKQLEIP-HLAZLLISSA-N. The full InChI is InChI=1S/C17H29NO/c1-13-7-8-15(18(5)6)14(2)16(19)10-12-17(3,4)11-9-13/h9-10,12,14-15H,7-8,11H2,1-6H3/b12-10+,13-9+/t14-,15-/m1/s1.
What are the key properties of (2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
(2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one has a molecular weight of 263.43 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one is sourced from PubChem (CID 52941964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).