2,2-diethyl-4,4-dimethyl-3H-chromene

C15H22O — CID 146403608

IUPAC2,2-diethyl-4,4-dimethyl-3H-chromene
SMILESCCC1(CC)CC(C)(C)c2ccccc2O1
InChIInChI=1S/C15H22O/c1-5-15(6-2)11-14(3,4)12-9-7-8-10-13(12)16-15/h7-10H,5-6,11H2,1-4H3
InChIKeyALIILQPQIMJCOW-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.31
Rot. Bonds2

About 2,2-diethyl-4,4-dimethyl-3H-chromene

2,2-diethyl-4,4-dimethyl-3H-chromene (PubChem CID 146403608) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,2-diethyl-4,4-dimethyl-3H-chromene.

Molecular Properties

Compound Name2,2-diethyl-4,4-dimethyl-3H-chromene
PubChem CID146403608
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,2-diethyl-4,4-dimethyl-3H-chromene
SMILESCCC1(CC)CC(C)(C)c2ccccc2O1
InChIInChI=1S/C15H22O/c1-5-15(6-2)11-14(3,4)12-9-7-8-10-13(12)16-15/h7-10H,5-6,11H2,1-4H3
InChIKeyALIILQPQIMJCOW-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4,4-dimethyl-3H-chromene?
The IUPAC name of 2,2-diethyl-4,4-dimethyl-3H-chromene (CID 146403608) is 2,2-diethyl-4,4-dimethyl-3H-chromene.
What is the SMILES notation for 2,2-diethyl-4,4-dimethyl-3H-chromene?
The canonical SMILES for 2,2-diethyl-4,4-dimethyl-3H-chromene is CCC1(CC)CC(C)(C)c2ccccc2O1.
What is the InChIKey of 2,2-diethyl-4,4-dimethyl-3H-chromene?
The InChIKey is ALIILQPQIMJCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-15(6-2)11-14(3,4)12-9-7-8-10-13(12)16-15/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 2,2-diethyl-4,4-dimethyl-3H-chromene?
2,2-diethyl-4,4-dimethyl-3H-chromene has a molecular weight of 218.34 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4,4-dimethyl-3H-chromene is sourced from PubChem (CID 146403608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).