4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne

C18H34O2 — CID 20679703

IUPAC4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne
SMILESCCOC(C)(C#CC(C)(CC(C)C)OCC)CC(C)C
InChIInChI=1S/C18H34O2/c1-9-19-17(7,13-15(3)4)11-12-18(8,20-10-2)14-16(5)6/h15-16H,9-10,13-14H2,1-8H3
InChIKeyBTTHJPWOPUBBNU-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.67
Rot. Bonds8

About 4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne

4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne (PubChem CID 20679703) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne.

Molecular Properties

Compound Name4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne
PubChem CID20679703
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne
SMILESCCOC(C)(C#CC(C)(CC(C)C)OCC)CC(C)C
InChIInChI=1S/C18H34O2/c1-9-19-17(7,13-15(3)4)11-12-18(8,20-10-2)14-16(5)6/h15-16H,9-10,13-14H2,1-8H3
InChIKeyBTTHJPWOPUBBNU-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.67
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

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CID 18739321
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CID 20596750
CID 59975572
CID 59975572
CID 60003145
CID 60003145
4-Ethoxy-2,4,7,7,9-pentamethyldec-5-yne
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4,4,7-Trimethyl-7-propoxydec-5-yne
CID 91486027
2-Methyl-2-[4-(2-methylbutan-2-yloxy)but-2-ynoxy]pentane
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2,4-Dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
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2,4-Dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane
CID 123705286
5-(3-But-3-ynoxy-3-methylbutoxy)-5-methylhex-1-yne
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2,5,8,11-Tetramethyl-5,8-di(propan-2-yloxy)dodec-6-yne
CID 130178276

Frequently Asked Questions

What is the IUPAC name of 4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne?
The IUPAC name of 4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne (CID 20679703) is 4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne.
What is the SMILES notation for 4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne?
The canonical SMILES for 4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne is CCOC(C)(C#CC(C)(CC(C)C)OCC)CC(C)C.
What is the InChIKey of 4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne?
The InChIKey is BTTHJPWOPUBBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-9-19-17(7,13-15(3)4)11-12-18(8,20-10-2)14-16(5)6/h15-16H,9-10,13-14H2,1-8H3.
What are the key properties of 4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne?
4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne has a molecular weight of 282.47 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethoxy-2,4,7,9-tetramethyldec-5-yne is sourced from PubChem (CID 20679703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).