(2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane

C12H18O5 — CID 146237136

IUPAC(2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane
SMILESCC=C1OCC(C(OC)C2CO/C(=C/C)O2)O1
InChIInChI=1S/C12H18O5/c1-4-10-14-6-8(16-10)12(13-3)9-7-15-11(5-2)17-9/h4-5,8-9,12H,6-7H2,1-3H3/b10-4-,11-5?
InChIKeyKJKUDTGKUMLYKH-GGAJUGKESA-N
MW242.27 g/mol
LogP1.55
Rot. Bonds3

About (2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane

(2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane (PubChem CID 146237136) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane.

Molecular Properties

Compound Name(2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane
PubChem CID146237136
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane
SMILESCC=C1OCC(C(OC)C2CO/C(=C/C)O2)O1
InChIInChI=1S/C12H18O5/c1-4-10-14-6-8(16-10)12(13-3)9-7-15-11(5-2)17-9/h4-5,8-9,12H,6-7H2,1-3H3/b10-4-,11-5?
InChIKeyKJKUDTGKUMLYKH-GGAJUGKESA-N
XLogP1.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane?
The IUPAC name of (2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane (CID 146237136) is (2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane.
What is the SMILES notation for (2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane?
The canonical SMILES for (2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane is CC=C1OCC(C(OC)C2CO/C(=C/C)O2)O1.
What is the InChIKey of (2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane?
The InChIKey is KJKUDTGKUMLYKH-GGAJUGKESA-N. The full InChI is InChI=1S/C12H18O5/c1-4-10-14-6-8(16-10)12(13-3)9-7-15-11(5-2)17-9/h4-5,8-9,12H,6-7H2,1-3H3/b10-4-,11-5?.
What are the key properties of (2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane?
(2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane has a molecular weight of 242.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane is sourced from PubChem (CID 146237136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).