5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne

C20H38O2 — CID 134813569

IUPAC5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne
SMILESCCOC(C)(C#CC(C)(CCC(C)C)OCC)CCC(C)C
InChIInChI=1S/C20H38O2/c1-9-21-19(7,13-11-17(3)4)15-16-20(8,22-10-2)14-12-18(5)6/h17-18H,9-14H2,1-8H3
InChIKeyGCZDIJZDAHHPDE-UHFFFAOYSA-N
MW310.52 g/mol
LogP5.45
Rot. Bonds10

About 5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne

5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne (PubChem CID 134813569) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne.

Molecular Properties

Compound Name5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne
PubChem CID134813569
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne
SMILESCCOC(C)(C#CC(C)(CCC(C)C)OCC)CCC(C)C
InChIInChI=1S/C20H38O2/c1-9-21-19(7,13-11-17(3)4)15-16-20(8,22-10-2)14-12-18(5)6/h17-18H,9-14H2,1-8H3
InChIKeyGCZDIJZDAHHPDE-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,7-Dimethoxy-2,4,7,9-tetramethyldec-5-yne
CID 18739321
2,4,7,9-Tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne
CID 20596750
4,7-Diethoxy-2,4,7,9-tetramethyldec-5-yne
CID 20679703
CID 57710647
CID 57710647
CID 59975572
CID 59975572
CID 60003145
CID 60003145
5,8-Dimethoxy-5,8-dimethyldodec-6-yne
CID 89177340
4-Ethoxy-2,4,7,7,9-pentamethyldec-5-yne
CID 89327199
2-Methyl-2,5-bis(3-methylbutoxy)hexane
CID 90290201
2-(3-Butoxy-3-methylbutoxy)-2-methylhexane
CID 91013073
2,5-Dimethyl-2,5-bis(3-methylbutoxy)hexane
CID 118516753
3-Methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane
CID 123585039

Frequently Asked Questions

What is the IUPAC name of 5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne?
The IUPAC name of 5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne (CID 134813569) is 5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne.
What is the SMILES notation for 5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne?
The canonical SMILES for 5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne is CCOC(C)(C#CC(C)(CCC(C)C)OCC)CCC(C)C.
What is the InChIKey of 5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne?
The InChIKey is GCZDIJZDAHHPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-9-21-19(7,13-11-17(3)4)15-16-20(8,22-10-2)14-12-18(5)6/h17-18H,9-14H2,1-8H3.
What are the key properties of 5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne?
5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne has a molecular weight of 310.52 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethoxy-2,5,8,11-tetramethyldodec-6-yne is sourced from PubChem (CID 134813569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).