2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene

C16H20O — CID 86733109

IUPAC2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene
SMILESCC1(C)CC2=C(C1)C(C)(C)Oc1ccccc12
InChIInChI=1S/C16H20O/c1-15(2)9-12-11-7-5-6-8-14(11)17-16(3,4)13(12)10-15/h5-8H,9-10H2,1-4H3
InChIKeyYQFRYFWOYBIGBE-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.43
Rot. Bonds

About 2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene

2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene (PubChem CID 86733109) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene
PubChem CID86733109
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene
SMILESCC1(C)CC2=C(C1)C(C)(C)Oc1ccccc12
InChIInChI=1S/C16H20O/c1-15(2)9-12-11-7-5-6-8-14(11)17-16(3,4)13(12)10-15/h5-8H,9-10H2,1-4H3
InChIKeyYQFRYFWOYBIGBE-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene?
The IUPAC name of 2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene (CID 86733109) is 2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene.
What is the SMILES notation for 2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene?
The canonical SMILES for 2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene is CC1(C)CC2=C(C1)C(C)(C)Oc1ccccc12.
What is the InChIKey of 2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene?
The InChIKey is YQFRYFWOYBIGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-15(2)9-12-11-7-5-6-8-14(11)17-16(3,4)13(12)10-15/h5-8H,9-10H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene?
2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene has a molecular weight of 228.34 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-1,3-dihydrocyclopenta[c]chromene is sourced from PubChem (CID 86733109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).