2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane

C18H26O3 — CID 90463747

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane
SMILESC=C/C=C(\C=C/C)C1(CC(CC=C)OCC=C)OCCO1
InChIInChI=1S/C18H26O3/c1-5-9-16(10-6-2)18(20-13-14-21-18)15-17(11-7-3)19-12-8-4/h5-10,17H,1,3-4,11-15H2,2H3/b10-6-,16-9+
InChIKeyNFCPIGYYJJVFTD-GQAHHDQSSA-N
MW290.40 g/mol
LogP3.96
Rot. Bonds10

About 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane (PubChem CID 90463747) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane
PubChem CID90463747
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane
SMILESC=C/C=C(\C=C/C)C1(CC(CC=C)OCC=C)OCCO1
InChIInChI=1S/C18H26O3/c1-5-9-16(10-6-2)18(20-13-14-21-18)15-17(11-7-3)19-12-8-4/h5-10,17H,1,3-4,11-15H2,2H3/b10-6-,16-9+
InChIKeyNFCPIGYYJJVFTD-GQAHHDQSSA-N
XLogP3.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane (CID 90463747) is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane is C=C/C=C(\C=C/C)C1(CC(CC=C)OCC=C)OCCO1.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane?
The InChIKey is NFCPIGYYJJVFTD-GQAHHDQSSA-N. The full InChI is InChI=1S/C18H26O3/c1-5-9-16(10-6-2)18(20-13-14-21-18)15-17(11-7-3)19-12-8-4/h5-10,17H,1,3-4,11-15H2,2H3/b10-6-,16-9+.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane?
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane has a molecular weight of 290.40 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-(2-prop-2-enoxypent-4-enyl)-1,3-dioxolane is sourced from PubChem (CID 90463747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).