2,2,6-trimethyl-4-methylidene-3H-chromene

C13H16O — CID 58549987

IUPAC2,2,6-trimethyl-4-methylidene-3H-chromene
SMILESC=C1CC(C)(C)Oc2ccc(C)cc21
InChIInChI=1S/C13H16O/c1-9-5-6-12-11(7-9)10(2)8-13(3,4)14-12/h5-7H,2,8H2,1,3-4H3
InChIKeyHAAGJVNXLRKTDA-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.57
Rot. Bonds

About 2,2,6-trimethyl-4-methylidene-3H-chromene

2,2,6-trimethyl-4-methylidene-3H-chromene (PubChem CID 58549987) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,2,6-trimethyl-4-methylidene-3H-chromene.

Molecular Properties

Compound Name2,2,6-trimethyl-4-methylidene-3H-chromene
PubChem CID58549987
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2,2,6-trimethyl-4-methylidene-3H-chromene
SMILESC=C1CC(C)(C)Oc2ccc(C)cc21
InChIInChI=1S/C13H16O/c1-9-5-6-12-11(7-9)10(2)8-13(3,4)14-12/h5-7H,2,8H2,1,3-4H3
InChIKeyHAAGJVNXLRKTDA-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-4-methylidene-3H-chromene?
The IUPAC name of 2,2,6-trimethyl-4-methylidene-3H-chromene (CID 58549987) is 2,2,6-trimethyl-4-methylidene-3H-chromene.
What is the SMILES notation for 2,2,6-trimethyl-4-methylidene-3H-chromene?
The canonical SMILES for 2,2,6-trimethyl-4-methylidene-3H-chromene is C=C1CC(C)(C)Oc2ccc(C)cc21.
What is the InChIKey of 2,2,6-trimethyl-4-methylidene-3H-chromene?
The InChIKey is HAAGJVNXLRKTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-5-6-12-11(7-9)10(2)8-13(3,4)14-12/h5-7H,2,8H2,1,3-4H3.
What are the key properties of 2,2,6-trimethyl-4-methylidene-3H-chromene?
2,2,6-trimethyl-4-methylidene-3H-chromene has a molecular weight of 188.27 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-4-methylidene-3H-chromene is sourced from PubChem (CID 58549987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).