(2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran

C11H12O — CID 143812844

IUPAC(2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran
SMILESC=C/C=C1/C=CC(=C)O/C1=C/C
InChIInChI=1S/C11H12O/c1-4-6-10-8-7-9(3)12-11(10)5-2/h4-8H,1,3H2,2H3/b10-6-,11-5+
InChIKeyPTEIWLBDRBNUQL-RECYIEQESA-N
MW160.22 g/mol
LogP3.10
Rot. Bonds1

About (2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran

(2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran (PubChem CID 143812844) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran
PubChem CID143812844
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran
SMILESC=C/C=C1/C=CC(=C)O/C1=C/C
InChIInChI=1S/C11H12O/c1-4-6-10-8-7-9(3)12-11(10)5-2/h4-8H,1,3H2,2H3/b10-6-,11-5+
InChIKeyPTEIWLBDRBNUQL-RECYIEQESA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran?
The IUPAC name of (2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran (CID 143812844) is (2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran.
What is the SMILES notation for (2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran?
The canonical SMILES for (2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran is C=C/C=C1/C=CC(=C)O/C1=C/C.
What is the InChIKey of (2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran?
The InChIKey is PTEIWLBDRBNUQL-RECYIEQESA-N. The full InChI is InChI=1S/C11H12O/c1-4-6-10-8-7-9(3)12-11(10)5-2/h4-8H,1,3H2,2H3/b10-6-,11-5+.
What are the key properties of (2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran?
(2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran has a molecular weight of 160.22 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-6-methylidene-3-prop-2-enylidenepyran is sourced from PubChem (CID 143812844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).