11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol

C22H45NO — CID 90803890

IUPAC11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol
SMILESCCC(=CCC(C)(C)CC(C)O)CC(C)(C)CC(C)N(CC)CC
InChIInChI=1S/C22H45NO/c1-10-20(13-14-21(6,7)16-19(5)24)17-22(8,9)15-18(4)23(11-2)12-3/h13,18-19,24H,10-12,14-17H2,1-9H3
InChIKeyOLBTZWUTTWCNOK-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.05
Rot. Bonds12

About 11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol

11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol (PubChem CID 90803890) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is 11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol.

Molecular Properties

Compound Name11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol
PubChem CID90803890
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol
SMILESCCC(=CCC(C)(C)CC(C)O)CC(C)(C)CC(C)N(CC)CC
InChIInChI=1S/C22H45NO/c1-10-20(13-14-21(6,7)16-19(5)24)17-22(8,9)15-18(4)23(11-2)12-3/h13,18-19,24H,10-12,14-17H2,1-9H3
InChIKeyOLBTZWUTTWCNOK-UHFFFAOYSA-N
XLogP6.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.05
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 11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol?
The IUPAC name of 11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol (CID 90803890) is 11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol.
What is the SMILES notation for 11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol?
The canonical SMILES for 11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol is CCC(=CCC(C)(C)CC(C)O)CC(C)(C)CC(C)N(CC)CC.
What is the InChIKey of 11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol?
The InChIKey is OLBTZWUTTWCNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-10-20(13-14-21(6,7)16-19(5)24)17-22(8,9)15-18(4)23(11-2)12-3/h13,18-19,24H,10-12,14-17H2,1-9H3.
What are the key properties of 11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol?
11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol has a molecular weight of 339.61 g/mol, XLogP of 6.05, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(diethylamino)-7-ethyl-4,4,9,9-tetramethyldodec-6-en-2-ol is sourced from PubChem (CID 90803890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).