2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane

C19H30O2 — CID 10356900

IUPAC2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C/CCC#CCCC1(C)OCCO1
InChIInChI=1S/C19H30O2/c1-17(2)11-10-13-18(3)12-8-6-5-7-9-14-19(4)20-15-16-21-19/h11-12H,6,8-10,13-16H2,1-4H3/b18-12+
InChIKeyAYUSLRYUVSGPDF-LDADJPATSA-N
MW290.45 g/mol
LogP5.01
Rot. Bonds7

About 2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane

2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane (PubChem CID 10356900) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane
PubChem CID10356900
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C/CCC#CCCC1(C)OCCO1
InChIInChI=1S/C19H30O2/c1-17(2)11-10-13-18(3)12-8-6-5-7-9-14-19(4)20-15-16-21-19/h11-12H,6,8-10,13-16H2,1-4H3/b18-12+
InChIKeyAYUSLRYUVSGPDF-LDADJPATSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.01
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-Dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
CID 109257
2-Methyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
CID 77280
2-methyl-2-[(3E)-3-pentenyl]-1,3-dioxolane
CID 12486424
2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane
CID 12541153
2-methyl-2-[(E)-4-methylhex-3-enyl]-1,3-dioxolane
CID 12541151
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 24859456
2-[(Z)-3-methyloct-3-en-7-ynyl]-1,3-dioxolane
CID 10845500
2-methyl-2-[(Z)-pent-3-enyl]-1,3-dioxolane
CID 12486425
2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane
CID 12541152
2-methyl-2-[(Z)-4-methylnon-3-enyl]-1,3-dioxolane
CID 12541154
2-methyl-2-[(E)-oct-3-enyl]-1,3-dioxolane
CID 13109412
2-methyl-2-[(3E)-4-methyl-3,5-hexadienyl]-1,3-dioxolane
CID 14968919

Frequently Asked Questions

What is the IUPAC name of 2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane (CID 10356900) is 2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane is CC(C)=CCC/C(C)=C/CCC#CCCC1(C)OCCO1.
What is the InChIKey of 2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane?
The InChIKey is AYUSLRYUVSGPDF-LDADJPATSA-N. The full InChI is InChI=1S/C19H30O2/c1-17(2)11-10-13-18(3)12-8-6-5-7-9-14-19(4)20-15-16-21-19/h11-12H,6,8-10,13-16H2,1-4H3/b18-12+.
What are the key properties of 2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane?
2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane has a molecular weight of 290.45 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 10356900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).