(2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene

C14H16O — CID 87415159

IUPAC(2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene
SMILESC=C/C=C1/OC2C=CC=CC2C/C1=C/C
InChIInChI=1S/C14H16O/c1-3-7-13-11(4-2)10-12-8-5-6-9-14(12)15-13/h3-9,12,14H,1,10H2,2H3/b11-4-,13-7+
InChIKeyMHGPGPBCPZOXAS-COKUFYHRSA-N
MW200.28 g/mol
LogP3.53
Rot. Bonds1

About (2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene

(2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene (PubChem CID 87415159) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene
PubChem CID87415159
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene
SMILESC=C/C=C1/OC2C=CC=CC2C/C1=C/C
InChIInChI=1S/C14H16O/c1-3-7-13-11(4-2)10-12-8-5-6-9-14(12)15-13/h3-9,12,14H,1,10H2,2H3/b11-4-,13-7+
InChIKeyMHGPGPBCPZOXAS-COKUFYHRSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene?
The IUPAC name of (2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene (CID 87415159) is (2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene.
What is the SMILES notation for (2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene?
The canonical SMILES for (2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene is C=C/C=C1/OC2C=CC=CC2C/C1=C/C.
What is the InChIKey of (2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene?
The InChIKey is MHGPGPBCPZOXAS-COKUFYHRSA-N. The full InChI is InChI=1S/C14H16O/c1-3-7-13-11(4-2)10-12-8-5-6-9-14(12)15-13/h3-9,12,14H,1,10H2,2H3/b11-4-,13-7+.
What are the key properties of (2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene?
(2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene has a molecular weight of 200.28 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-ethylidene-2-prop-2-enylidene-4a,8a-dihydro-4H-chromene is sourced from PubChem (CID 87415159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).