ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane

C14H22O2 — CID 143503821

IUPACethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane
SMILESC=C/C=C\C(=C/C=C)C1OCCCO1.CC
InChIInChI=1S/C12H16O2.C2H6/c1-3-5-8-11(7-4-2)12-13-9-6-10-14-12;1-2/h3-5,7-8,12H,1-2,6,9-10H2;1-2H3/b8-5-,11-7+;
InChIKeyRQTAMBYVXCODFQ-UJCNWHNNSA-N
MW222.33 g/mol
LogP3.63
Rot. Bonds4

About ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane

ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane (PubChem CID 143503821) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane.

Molecular Properties

Compound Nameethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane
PubChem CID143503821
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Nameethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane
SMILESC=C/C=C\C(=C/C=C)C1OCCCO1.CC
InChIInChI=1S/C12H16O2.C2H6/c1-3-5-8-11(7-4-2)12-13-9-6-10-14-12;1-2/h3-5,7-8,12H,1-2,6,9-10H2;1-2H3/b8-5-,11-7+;
InChIKeyRQTAMBYVXCODFQ-UJCNWHNNSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane?
The IUPAC name of ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane (CID 143503821) is ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane.
What is the SMILES notation for ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane?
The canonical SMILES for ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane is C=C/C=C\C(=C/C=C)C1OCCCO1.CC.
What is the InChIKey of ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane?
The InChIKey is RQTAMBYVXCODFQ-UJCNWHNNSA-N. The full InChI is InChI=1S/C12H16O2.C2H6/c1-3-5-8-11(7-4-2)12-13-9-6-10-14-12;1-2/h3-5,7-8,12H,1-2,6,9-10H2;1-2H3/b8-5-,11-7+;.
What are the key properties of ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane?
ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane has a molecular weight of 222.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dioxane is sourced from PubChem (CID 143503821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).