2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane

C18H30O4 — CID 139255405

IUPAC2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane
SMILESCCOC(C)OC(C=C(C)C)CC#CCCC1(C)OCCO1
InChIInChI=1S/C18H30O4/c1-6-19-16(4)22-17(14-15(2)3)10-8-7-9-11-18(5)20-12-13-21-18/h14,16-17H,6,9-13H2,1-5H3
InChIKeyYQMOCRFLJBIWMZ-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.66
Rot. Bonds8

About 2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane

2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane (PubChem CID 139255405) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane
PubChem CID139255405
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane
SMILESCCOC(C)OC(C=C(C)C)CC#CCCC1(C)OCCO1
InChIInChI=1S/C18H30O4/c1-6-19-16(4)22-17(14-15(2)3)10-8-7-9-11-18(5)20-12-13-21-18/h14,16-17H,6,9-13H2,1-5H3
InChIKeyYQMOCRFLJBIWMZ-UHFFFAOYSA-N
XLogP3.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Geranial propylene glycol acetal
CID 5338463
Citracetal
CID 1615097
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-4-methyl-
CID 61519
2-(2,6-Dimethylhepta-1,5-dienyl)-1,3-dioxolane
CID 47922
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,5-dimethyl-
CID 5980986
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane
CID 5356479
4-Methyl-2-(1-methyl-1-butenyl)-1,3-dioxolane
CID 11970580
4-Piperidinamine,1-methyl-3-(1-methylethyl)-
CID 53426669
2-(2,6-Dimethyl-1,5-heptadienyl)-1,3-dioxolane
CID 1615096
2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane
CID 10356900
(2R,6R)-2-[(1E,3E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpenta-1,3-dienyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
CID 102050111
2-(2,6-Dimethylhepta-1,5-dien-1-yl)-4,5-dimethyl-1,3-dioxolane
CID 97918

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane (CID 139255405) is 2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane is CCOC(C)OC(C=C(C)C)CC#CCCC1(C)OCCO1.
What is the InChIKey of 2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane?
The InChIKey is YQMOCRFLJBIWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-6-19-16(4)22-17(14-15(2)3)10-8-7-9-11-18(5)20-12-13-21-18/h14,16-17H,6,9-13H2,1-5H3.
What are the key properties of 2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane?
2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane has a molecular weight of 310.43 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-ethoxyethoxy)-8-methylnon-7-en-3-ynyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 139255405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).