2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane

C11H18O2 — CID 10702589

IUPAC2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane
SMILESC/C=C/C/C=C/CCC1OCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-3,5-6,11H,4,7-10H2,1H3/b3-2+,6-5+
InChIKeyODRVYYGFGCQADH-ZIMISOLQSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds5

About 2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane

2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane (PubChem CID 10702589) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane
PubChem CID10702589
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane
SMILESC/C=C/C/C=C/CCC1OCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-3,5-6,11H,4,7-10H2,1H3/b3-2+,6-5+
InChIKeyODRVYYGFGCQADH-ZIMISOLQSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane?
The IUPAC name of 2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane (CID 10702589) is 2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane?
The canonical SMILES for 2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane is C/C=C/C/C=C/CCC1OCCO1.
What is the InChIKey of 2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane?
The InChIKey is ODRVYYGFGCQADH-ZIMISOLQSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-3,5-6,11H,4,7-10H2,1H3/b3-2+,6-5+.
What are the key properties of 2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane?
2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,6E)-octa-3,6-dienyl]-1,3-dioxolane is sourced from PubChem (CID 10702589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).