1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene

C14H22O — CID 57060986

IUPAC1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene
SMILESCC1C2=C(C=CO1)C(CCC2)CC(C)C
InChIInChI=1S/C14H22O/c1-10(2)9-12-5-4-6-13-11(3)15-8-7-14(12)13/h7-8,10-12H,4-6,9H2,1-3H3
InChIKeyIOZNEWRMXIGUOA-UHFFFAOYSA-N
MW206.32 g/mol
LogP3.70
Rot. Bonds2

About 1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene

1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene (PubChem CID 57060986) has the molecular formula C14H22O and a molecular weight of 206.32 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene.

Molecular Properties

Compound Name1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene
PubChem CID57060986
Molecular FormulaC14H22O
Molecular Weight206.32 g/mol
Exact Mass206.17
IUPAC Name1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene
SMILESCC1C2=C(C=CO1)C(CCC2)CC(C)C
InChIInChI=1S/C14H22O/c1-10(2)9-12-5-4-6-13-11(3)15-8-7-14(12)13/h7-8,10-12H,4-6,9H2,1-3H3
InChIKeyIOZNEWRMXIGUOA-UHFFFAOYSA-N
XLogP3.70
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity286

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S,4aS,8aR)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 100982633
(4aS,7R,8aR)-3-ethenyl-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-chromene
CID 44433591
(2S,4S,4aS,8aS)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 15484403
2-heptyl-3,4-dimethyl-2H-pyran
CID 67283434
3-methyl-2-octyl-2H-pyran
CID 85787136
5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene
CID 69485206
6-(fluoromethyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene
CID 70151523
6-ethyl-4,4-difluoro-6-methyl-3,5-dihydro-2H-chromene
CID 71015954
9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
CID 71170261
6-ethenyl-5-(2-fluorobutyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247341
6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 89247366
(6S)-6-fluoro-3,7-dimethyl-3,4,5,6-tetrahydro-2H-chromene
CID 89247368

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene?
The IUPAC name of 1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene (CID 57060986) is 1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene.
What is the SMILES notation for 1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene?
The canonical SMILES for 1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene is CC1C2=C(C=CO1)C(CCC2)CC(C)C.
What is the InChIKey of 1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene?
The InChIKey is IOZNEWRMXIGUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10(2)9-12-5-4-6-13-11(3)15-8-7-14(12)13/h7-8,10-12H,4-6,9H2,1-3H3.
What are the key properties of 1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene?
1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene has a molecular weight of 206.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene is sourced from PubChem (CID 57060986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).