(4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane

C16H28O4 — CID 178114086

IUPAC(4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane
SMILESC=C(CC(CC/C(C)=C1\OCOC1=C)OC)OC.CC
InChIInChI=1S/C14H22O4.C2H6/c1-10(14-12(3)17-9-18-14)6-7-13(16-5)8-11(2)15-4;1-2/h13H,2-3,6-9H2,1,4-5H3;1-2H3/b14-10-;
InChIKeyXENNZCMETZYRHW-DZOOLQPHSA-N
MW284.40 g/mol
LogP4.15
Rot. Bonds7

About (4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane

(4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane (PubChem CID 178114086) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane.

Molecular Properties

Compound Name(4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane
PubChem CID178114086
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane
SMILESC=C(CC(CC/C(C)=C1\OCOC1=C)OC)OC.CC
InChIInChI=1S/C14H22O4.C2H6/c1-10(14-12(3)17-9-18-14)6-7-13(16-5)8-11(2)15-4;1-2/h13H,2-3,6-9H2,1,4-5H3;1-2H3/b14-10-;
InChIKeyXENNZCMETZYRHW-DZOOLQPHSA-N
XLogP4.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane?
The IUPAC name of (4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane (CID 178114086) is (4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane.
What is the SMILES notation for (4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane?
The canonical SMILES for (4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane is C=C(CC(CC/C(C)=C1\OCOC1=C)OC)OC.CC.
What is the InChIKey of (4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane?
The InChIKey is XENNZCMETZYRHW-DZOOLQPHSA-N. The full InChI is InChI=1S/C14H22O4.C2H6/c1-10(14-12(3)17-9-18-14)6-7-13(16-5)8-11(2)15-4;1-2/h13H,2-3,6-9H2,1,4-5H3;1-2H3/b14-10-;.
What are the key properties of (4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane?
(4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane has a molecular weight of 284.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(5,7-dimethoxyoct-7-en-2-ylidene)-5-methylidene-1,3-dioxolane;ethane is sourced from PubChem (CID 178114086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).