2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne

C24H38O2 — CID 20596750

IUPAC2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne
SMILESCC#CCCOC(C)(C#CC(C)(CC(C)C)OCCC#CC)CC(C)C
InChIInChI=1S/C24H38O2/c1-9-11-13-17-25-23(7,19-21(3)4)15-16-24(8,20-22(5)6)26-18-14-12-10-2/h21-22H,13-14,17-20H2,1-8H3
InChIKeyUZZMDMGEIVHFFL-UHFFFAOYSA-N
MW358.57 g/mol
LogP5.46
Rot. Bonds10

About 2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne

2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne (PubChem CID 20596750) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne.

Molecular Properties

Compound Name2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne
PubChem CID20596750
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne
SMILESCC#CCCOC(C)(C#CC(C)(CC(C)C)OCCC#CC)CC(C)C
InChIInChI=1S/C24H38O2/c1-9-11-13-17-25-23(7,19-21(3)4)15-16-24(8,20-22(5)6)26-18-14-12-10-2/h21-22H,13-14,17-20H2,1-8H3
InChIKeyUZZMDMGEIVHFFL-UHFFFAOYSA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 18739321
4,7-Diethoxy-2,4,7,9-tetramethyldec-5-yne
CID 20679703
CID 59975572
CID 59975572
CID 60003145
CID 60003145
4-Ethoxy-2,4,7,7,9-pentamethyldec-5-yne
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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
CID 123925615
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 2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne?
The IUPAC name of 2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne (CID 20596750) is 2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne.
What is the SMILES notation for 2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne?
The canonical SMILES for 2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne is CC#CCCOC(C)(C#CC(C)(CC(C)C)OCCC#CC)CC(C)C.
What is the InChIKey of 2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne?
The InChIKey is UZZMDMGEIVHFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2/c1-9-11-13-17-25-23(7,19-21(3)4)15-16-24(8,20-22(5)6)26-18-14-12-10-2/h21-22H,13-14,17-20H2,1-8H3.
What are the key properties of 2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne?
2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne has a molecular weight of 358.57 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7,9-tetramethyl-4,7-bis(pent-3-ynoxy)dec-5-yne is sourced from PubChem (CID 20596750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).