5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one

C14H22O5 — CID 10730743

IUPAC5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one
SMILESC/C=C/C(CC1=C(C)OC(C)(C)OC1=O)OCOC
InChIInChI=1S/C14H22O5/c1-6-7-11(17-9-16-5)8-12-10(2)18-14(3,4)19-13(12)15/h6-7,11H,8-9H2,1-5H3/b7-6+
InChIKeyRGSMUBMNINCYPL-VOTSOKGWSA-N
MW270.32 g/mol
LogP2.53
Rot. Bonds6

About 5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one

5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one (PubChem CID 10730743) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one
PubChem CID10730743
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one
SMILESC/C=C/C(CC1=C(C)OC(C)(C)OC1=O)OCOC
InChIInChI=1S/C14H22O5/c1-6-7-11(17-9-16-5)8-12-10(2)18-14(3,4)19-13(12)15/h6-7,11H,8-9H2,1-5H3/b7-6+
InChIKeyRGSMUBMNINCYPL-VOTSOKGWSA-N
XLogP2.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
The IUPAC name of 5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one (CID 10730743) is 5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
The canonical SMILES for 5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one is C/C=C/C(CC1=C(C)OC(C)(C)OC1=O)OCOC.
What is the InChIKey of 5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
The InChIKey is RGSMUBMNINCYPL-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H22O5/c1-6-7-11(17-9-16-5)8-12-10(2)18-14(3,4)19-13(12)15/h6-7,11H,8-9H2,1-5H3/b7-6+.
What are the key properties of 5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one has a molecular weight of 270.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(methoxymethoxy)pent-3-enyl]-2,2,6-trimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 10730743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).