(2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one

C14H22O2 — CID 13481990

IUPAC(2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one
SMILESC[C@@H]1CC(=O)C2=C(CC[C@@H](C(C)(C)C)C2)O1
InChIInChI=1S/C14H22O2/c1-9-7-12(15)11-8-10(14(2,3)4)5-6-13(11)16-9/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyQDUFFXHCNUUBNM-NXEZZACHSA-N
MW222.33 g/mol
LogP3.46
Rot. Bonds

About (2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one

(2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one (PubChem CID 13481990) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one.

Molecular Properties

Compound Name(2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one
PubChem CID13481990
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one
SMILESC[C@@H]1CC(=O)C2=C(CC[C@@H](C(C)(C)C)C2)O1
InChIInChI=1S/C14H22O2/c1-9-7-12(15)11-8-10(14(2,3)4)5-6-13(11)16-9/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyQDUFFXHCNUUBNM-NXEZZACHSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one with MolForge

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Related Compounds

Sollasin E
CID 9970696
Dihydrospiciferone A
CID 139590908
1-[(4R,5R,6S)-4,5,6-trimethyl-2,3,4,5,7,8-hexahydrochromen-6-yl]ethanone
CID 24827355
7-(1,1-Dimethylethyl)-3-ethoxy-spiro[3.5]non-2-EN-1-one
CID 73014221
(4R,5S,6R)-4,5,6-trimethyl-2,3,4,5,7,8-hexahydrochromene-6-carbaldehyde
CID 101849317
1-[(1R,6aR,9aR)-1-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-6a-yl]ethanone
CID 101849318
4,7,7-Trimethyl-2,3,4,6,7,8-hexahydro-5h-chromen-5-one
CID 129712624
1-[(4R,5S,6R)-4,5,6-trimethyl-2,3,4,5,7,8-hexahydrochromen-6-yl]ethanone
CID 134940661
2,2,6,6,8,8-Hexamethyl-3,4-dihydrochromene-5,7-dione
CID 155931515
2,2-Dimethyl-2,3,5,6,7,8-hexahydro-4H-1-benzopyran-4-one
CID 13328665
6-tert-butyl-2,2-dimethyl-5,6,7,8-tetrahydro-3H-chromen-4-one
CID 13328666
8-Ethyl-2,3,8-trimethyl-5,6-dihydrochromene-4,7-dione
CID 14443156

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one?
The IUPAC name of (2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one (CID 13481990) is (2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one.
What is the SMILES notation for (2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one?
The canonical SMILES for (2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one is C[C@@H]1CC(=O)C2=C(CC[C@@H](C(C)(C)C)C2)O1.
What is the InChIKey of (2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one?
The InChIKey is QDUFFXHCNUUBNM-NXEZZACHSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-7-12(15)11-8-10(14(2,3)4)5-6-13(11)16-9/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one?
(2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one has a molecular weight of 222.33 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-tert-butyl-2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one is sourced from PubChem (CID 13481990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).