(3E,4Z)-3,4-di(ethylidene)oxane;ethane

C11H20O — CID 143460049

IUPAC(3E,4Z)-3,4-di(ethylidene)oxane;ethane
SMILESC/C=C1/CCOC/C1=C/C.CC
InChIInChI=1S/C9H14O.C2H6/c1-3-8-5-6-10-7-9(8)4-2;1-2/h3-4H,5-7H2,1-2H3;1-2H3/b8-3-,9-4-;
InChIKeyRTEXYZAXYWVXDJ-FLHNYSSYSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds

About (3E,4Z)-3,4-di(ethylidene)oxane;ethane

(3E,4Z)-3,4-di(ethylidene)oxane;ethane (PubChem CID 143460049) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3E,4Z)-3,4-di(ethylidene)oxane;ethane.

Molecular Properties

Compound Name(3E,4Z)-3,4-di(ethylidene)oxane;ethane
PubChem CID143460049
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3E,4Z)-3,4-di(ethylidene)oxane;ethane
SMILESC/C=C1/CCOC/C1=C/C.CC
InChIInChI=1S/C9H14O.C2H6/c1-3-8-5-6-10-7-9(8)4-2;1-2/h3-4H,5-7H2,1-2H3;1-2H3/b8-3-,9-4-;
InChIKeyRTEXYZAXYWVXDJ-FLHNYSSYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3,4-di(ethylidene)oxane;ethane?
The IUPAC name of (3E,4Z)-3,4-di(ethylidene)oxane;ethane (CID 143460049) is (3E,4Z)-3,4-di(ethylidene)oxane;ethane.
What is the SMILES notation for (3E,4Z)-3,4-di(ethylidene)oxane;ethane?
The canonical SMILES for (3E,4Z)-3,4-di(ethylidene)oxane;ethane is C/C=C1/CCOC/C1=C/C.CC.
What is the InChIKey of (3E,4Z)-3,4-di(ethylidene)oxane;ethane?
The InChIKey is RTEXYZAXYWVXDJ-FLHNYSSYSA-N. The full InChI is InChI=1S/C9H14O.C2H6/c1-3-8-5-6-10-7-9(8)4-2;1-2/h3-4H,5-7H2,1-2H3;1-2H3/b8-3-,9-4-;.
What are the key properties of (3E,4Z)-3,4-di(ethylidene)oxane;ethane?
(3E,4Z)-3,4-di(ethylidene)oxane;ethane has a molecular weight of 168.28 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3,4-di(ethylidene)oxane;ethane is sourced from PubChem (CID 143460049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).