2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one

C14H18O2 — CID 59583916

IUPAC2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one
SMILESC=C1C(=O)C(C)=C(C)C2=C1CCC(C)(C)O2
InChIInChI=1S/C14H18O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h3,6-7H2,1-2,4-5H3
InChIKeyMCOSSRKWGVOZOB-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.30
Rot. Bonds

About 2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one

2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one (PubChem CID 59583916) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one.

Molecular Properties

Compound Name2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one
PubChem CID59583916
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one
SMILESC=C1C(=O)C(C)=C(C)C2=C1CCC(C)(C)O2
InChIInChI=1S/C14H18O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h3,6-7H2,1-2,4-5H3
InChIKeyMCOSSRKWGVOZOB-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one?
The IUPAC name of 2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one (CID 59583916) is 2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one.
What is the SMILES notation for 2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one?
The canonical SMILES for 2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one is C=C1C(=O)C(C)=C(C)C2=C1CCC(C)(C)O2.
What is the InChIKey of 2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one?
The InChIKey is MCOSSRKWGVOZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h3,6-7H2,1-2,4-5H3.
What are the key properties of 2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one?
2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one has a molecular weight of 218.30 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,8-tetramethyl-5-methylidene-3,4-dihydrochromen-6-one is sourced from PubChem (CID 59583916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).