2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene

C12H18O — CID 139455906

IUPAC2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene
SMILESCC1=CCC2OC(C)(C)CCC2=C1
InChIInChI=1S/C12H18O/c1-9-4-5-11-10(8-9)6-7-12(2,3)13-11/h4,8,11H,5-7H2,1-3H3
InChIKeyKYPGSPKNRXAYDF-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.22
Rot. Bonds

About 2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene

2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene (PubChem CID 139455906) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene.

Molecular Properties

Compound Name2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene
PubChem CID139455906
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene
SMILESCC1=CCC2OC(C)(C)CCC2=C1
InChIInChI=1S/C12H18O/c1-9-4-5-11-10(8-9)6-7-12(2,3)13-11/h4,8,11H,5-7H2,1-3H3
InChIKeyKYPGSPKNRXAYDF-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3,4,8,8a-tetrahydrochromene-8-carboxylic acid
CID 163558508
2,2,4,4,7-pentamethyl-4a,5-dihydro-3H-thiochromene
CID 140974651
2-(5,5-dimethyloxolan-2-yl)furan
CID 21036269
6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile
CID 137427519
(3R,5S)-4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene
CID 57201556
3-methyl-4-(5-methyl-7,7a-dihydro-1,3-benzoxazol-2-yl)aniline
CID 149097677
1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene
CID 153147089
4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane
CID 178055178
5,5-dimethyloxolan-2-ol;ethane
CID 142894626
2,2-dimethyl-4-(4-methylphenyl)oxetane
CID 12731994
6-methyl-3a,4-dihydroisoindole-1,3-dione
CID 143194785
2,2,5,6,7-pentamethyl-3,4-dihydrochromene
CID 58669353

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene?
The IUPAC name of 2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene (CID 139455906) is 2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene.
What is the SMILES notation for 2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene?
The canonical SMILES for 2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene is CC1=CCC2OC(C)(C)CCC2=C1.
What is the InChIKey of 2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene?
The InChIKey is KYPGSPKNRXAYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9-4-5-11-10(8-9)6-7-12(2,3)13-11/h4,8,11H,5-7H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene?
2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene has a molecular weight of 178.28 g/mol, XLogP of 3.22, 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-3,4,8,8a-tetrahydrochromene is sourced from PubChem (CID 139455906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).