(2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane

C12H18O — CID 89473304

IUPAC(2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane
SMILESC/C=C\C(C)=C1\OCCC\C1=C/C
InChIInChI=1S/C12H18O/c1-4-7-10(3)12-11(5-2)8-6-9-13-12/h4-5,7H,6,8-9H2,1-3H3/b7-4-,11-5+,12-10+
InChIKeyMGNFLVRRCWLSQG-CVRYHVSQSA-N
MW178.27 g/mol
LogP3.59
Rot. Bonds1

About (2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane

(2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane (PubChem CID 89473304) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane.

Molecular Properties

Compound Name(2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane
PubChem CID89473304
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane
SMILESC/C=C\C(C)=C1\OCCC\C1=C/C
InChIInChI=1S/C12H18O/c1-4-7-10(3)12-11(5-2)8-6-9-13-12/h4-5,7H,6,8-9H2,1-3H3/b7-4-,11-5+,12-10+
InChIKeyMGNFLVRRCWLSQG-CVRYHVSQSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane?
The IUPAC name of (2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane (CID 89473304) is (2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane.
What is the SMILES notation for (2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane?
The canonical SMILES for (2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane is C/C=C\C(C)=C1\OCCC\C1=C/C.
What is the InChIKey of (2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane?
The InChIKey is MGNFLVRRCWLSQG-CVRYHVSQSA-N. The full InChI is InChI=1S/C12H18O/c1-4-7-10(3)12-11(5-2)8-6-9-13-12/h4-5,7H,6,8-9H2,1-3H3/b7-4-,11-5+,12-10+.
What are the key properties of (2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane?
(2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane has a molecular weight of 178.27 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-ethylidene-2-[(Z)-pent-3-en-2-ylidene]oxane is sourced from PubChem (CID 89473304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).