(5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene

C18H34O2 — CID 162701551

IUPAC(5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene
SMILESC=CCC/C=C(/C)CCCC(C)CCOCCOCC
InChIInChI=1S/C18H34O2/c1-5-7-8-10-17(3)11-9-12-18(4)13-14-20-16-15-19-6-2/h5,10,18H,1,6-9,11-16H2,2-4H3/b17-10-
InChIKeyJEABSWKGYXUREG-YVLHZVERSA-N
MW282.47 g/mol
LogP5.15
Rot. Bonds14

About (5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene

(5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene (PubChem CID 162701551) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene.

Molecular Properties

Compound Name(5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene
PubChem CID162701551
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene
SMILESC=CCC/C=C(/C)CCCC(C)CCOCCOCC
InChIInChI=1S/C18H34O2/c1-5-7-8-10-17(3)11-9-12-18(4)13-14-20-16-15-19-6-2/h5,10,18H,1,6-9,11-16H2,2-4H3/b17-10-
InChIKeyJEABSWKGYXUREG-YVLHZVERSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-2-(5,9,13-trimethyltetradec-4-enoxymethyl)propane-1,3-diol
CID 75995745
(6E)-3,7-dimethyldodeca-6,11-dien-1-ol
CID 21160167
2-[[2,2-bis(hydroxymethyl)-3-[(E)-5,9,13,17-tetramethyloctadec-4-enoxy]propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88939217
3-(5,9,13-trimethyltetradec-4-enoxy)propane-1,2-diol
CID 75995743
1-ethoxy-4-methylundec-3-ene
CID 72800816
(E)-6,10-dimethylpentadec-5-en-2-ol
CID 129151744
2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
CID 150121386
7,11-dimethyltridec-6-ene
CID 91025564
ethyl (6E)-2,6-dimethyl-3-oxoundeca-6,10-dienoate
CID 11448137
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]octadecane;1-(3,7,11-trimethyldodecoxy)octadecane
CID 159018519
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592

Frequently Asked Questions

What is the IUPAC name of (5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene?
The IUPAC name of (5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene (CID 162701551) is (5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene.
What is the SMILES notation for (5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene?
The canonical SMILES for (5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene is C=CCC/C=C(/C)CCCC(C)CCOCCOCC.
What is the InChIKey of (5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene?
The InChIKey is JEABSWKGYXUREG-YVLHZVERSA-N. The full InChI is InChI=1S/C18H34O2/c1-5-7-8-10-17(3)11-9-12-18(4)13-14-20-16-15-19-6-2/h5,10,18H,1,6-9,11-16H2,2-4H3/b17-10-.
What are the key properties of (5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene?
(5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene has a molecular weight of 282.47 g/mol, XLogP of 5.15, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene is sourced from PubChem (CID 162701551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).