(5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one

C17H30O3 — CID 13291922

IUPAC(5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCCOC(OCC)C(=O)CC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C17H30O3/c1-6-19-17(20-7-2)16(18)13-9-12-15(5)11-8-10-14(3)4/h10,12,17H,6-9,11,13H2,1-5H3/b15-12-
InChIKeyHMLHVFICDTUCIV-QINSGFPZSA-N
MW282.42 g/mol
LogP4.43
Rot. Bonds11

About (5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one

(5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 13291922) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID13291922
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCCOC(OCC)C(=O)CC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C17H30O3/c1-6-19-17(20-7-2)16(18)13-9-12-15(5)11-8-10-14(3)4/h10,12,17H,6-9,11,13H2,1-5H3/b15-12-
InChIKeyHMLHVFICDTUCIV-QINSGFPZSA-N
XLogP4.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5E,9E)-1,1-dimethoxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 23466447
(5Z,9E)-6-(dimethoxymethyl)-1,1-dimethoxy-10,14-dimethylpentadeca-5,9,13-trien-2-one
CID 19844979
ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
CID 11491628
ethyl (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
CID 5366011
ethyl 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenoate
CID 57102795
ethyl (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoate
CID 53482566
1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173348329
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695

Frequently Asked Questions

What is the IUPAC name of (5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of (5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one (CID 13291922) is (5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for (5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for (5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one is CCOC(OCC)C(=O)CC/C=C(/C)CCC=C(C)C.
What is the InChIKey of (5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is HMLHVFICDTUCIV-QINSGFPZSA-N. The full InChI is InChI=1S/C17H30O3/c1-6-19-17(20-7-2)16(18)13-9-12-15(5)11-8-10-14(3)4/h10,12,17H,6-9,11,13H2,1-5H3/b15-12-.
What are the key properties of (5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one?
(5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 282.42 g/mol, XLogP of 4.43, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 13291922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).