10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione

C18H31NO2 — CID 91000485

IUPAC10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione
SMILES[H]/N=C(\C)C(C(=O)C=C(C)CCCC(C)C(C)=O)C(C)(C)C
InChIInChI=1S/C18H31NO2/c1-12(9-8-10-13(2)15(4)20)11-16(21)17(14(3)19)18(5,6)7/h11,13,17,19H,8-10H2,1-7H3/b12-11?,19-14+
InChIKeyGLGKMLZEJCHGNW-LQAGCJQGSA-N
MW293.45 g/mol
LogP4.60
Rot. Bonds8

About 10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione

10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione (PubChem CID 91000485) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione.

Molecular Properties

Compound Name10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione
PubChem CID91000485
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione
SMILES[H]/N=C(\C)C(C(=O)C=C(C)CCCC(C)C(C)=O)C(C)(C)C
InChIInChI=1S/C18H31NO2/c1-12(9-8-10-13(2)15(4)20)11-16(21)17(14(3)19)18(5,6)7/h11,13,17,19H,8-10H2,1-7H3/b12-11?,19-14+
InChIKeyGLGKMLZEJCHGNW-LQAGCJQGSA-N
XLogP4.60
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione with MolForge

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Related Compounds

Di-t-butyl-1,4-benzoquinonimine
CID 129745327
Diethylbenzoquinonimine
CID 129850744
(1R,3E,7E,11S)-12-diazo-1,4,8-trimethylbicyclo[9.4.0]pentadeca-3,7,14-trien-13-one
CID 11522035
Ethylmethylbenzoquinoneimine
CID 166174992
3-Imino-5,5-dimethyl-2-(3,6,7-trimethylideneundeca-4,8,10-trien-2-yl)cyclohexan-1-one
CID 90711489
(9E,12E)-13-ethyl-8-imino-4,9,10,15-tetramethyl-5-(3-methylbut-1-en-2-yl)hexadeca-9,12-dien-2-one
CID 90875133
1-(1,2,3,4,4a,5,6,9,10,10a-Decahydrobenzo[8]annulen-7-yl)-6-imino-7,7-dimethyloctane-1,5-dione
CID 91045740
5-Ethanimidoyl-2,6,6-trimethyl-1-[1-methyl-2-(3-oxobutan-2-yl)cyclopropyl]hept-2-en-4-one
CID 91076788
4-(3-Imino-4,4-dimethylpentanoyl)-5-methylcyclohex-3-en-1-one
CID 91273740
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
4,5-Dimethyl-6-propanimidoyldeca-1,6-dien-3-one
CID 123237655
9-Imino-3,7,10-trimethylundeca-7,10-dien-2-one
CID 123272303

Frequently Asked Questions

What is the IUPAC name of 10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione?
The IUPAC name of 10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione (CID 91000485) is 10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione.
What is the SMILES notation for 10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione?
The canonical SMILES for 10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione is [H]/N=C(\C)C(C(=O)C=C(C)CCCC(C)C(C)=O)C(C)(C)C.
What is the InChIKey of 10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione?
The InChIKey is GLGKMLZEJCHGNW-LQAGCJQGSA-N. The full InChI is InChI=1S/C18H31NO2/c1-12(9-8-10-13(2)15(4)20)11-16(21)17(14(3)19)18(5,6)7/h11,13,17,19H,8-10H2,1-7H3/b12-11?,19-14+.
What are the key properties of 10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione?
10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione has a molecular weight of 293.45 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione is sourced from PubChem (CID 91000485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).