6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene

C13H18O — CID 143804388

IUPAC6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene
SMILESCCc1cc(C)c2c(c1C)CCCO2
InChIInChI=1S/C13H18O/c1-4-11-8-9(2)13-12(10(11)3)6-5-7-14-13/h8H,4-7H2,1-3H3
InChIKeyYNKJOZPSGSWWJE-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.19
Rot. Bonds1

About 6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene

6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene (PubChem CID 143804388) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene
PubChem CID143804388
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene
SMILESCCc1cc(C)c2c(c1C)CCCO2
InChIInChI=1S/C13H18O/c1-4-11-8-9(2)13-12(10(11)3)6-5-7-14-13/h8H,4-7H2,1-3H3
InChIKeyYNKJOZPSGSWWJE-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene (CID 143804388) is 6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene is CCc1cc(C)c2c(c1C)CCCO2.
What is the InChIKey of 6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene?
The InChIKey is YNKJOZPSGSWWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-11-8-9(2)13-12(10(11)3)6-5-7-14-13/h8H,4-7H2,1-3H3.
What are the key properties of 6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene?
6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene has a molecular weight of 190.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,8-dimethyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 143804388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).