5-methyl-5,6,7,8-tetrahydro-1H-isochromene

C10H14O — CID 90774016

IUPAC5-methyl-5,6,7,8-tetrahydro-1H-isochromene
SMILESCC1CCCC2=C1C=COC2
InChIInChI=1S/C10H14O/c1-8-3-2-4-9-7-11-6-5-10(8)9/h5-6,8H,2-4,7H2,1H3
InChIKeyPPBUIUATPQETOX-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds

About 5-methyl-5,6,7,8-tetrahydro-1H-isochromene

5-methyl-5,6,7,8-tetrahydro-1H-isochromene (PubChem CID 90774016) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-methyl-5,6,7,8-tetrahydro-1H-isochromene.

Molecular Properties

Compound Name5-methyl-5,6,7,8-tetrahydro-1H-isochromene
PubChem CID90774016
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name5-methyl-5,6,7,8-tetrahydro-1H-isochromene
SMILESCC1CCCC2=C1C=COC2
InChIInChI=1S/C10H14O/c1-8-3-2-4-9-7-11-6-5-10(8)9/h5-6,8H,2-4,7H2,1H3
InChIKeyPPBUIUATPQETOX-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-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
3,3-Difluoro-6-methyl-2,4,5,6-tetrahydrochromene
CID 89973259
1',2'-Dimethylheptyl-pyran
CID 129858207
3-cyclohexyl-2H-pyran
CID 20253316
1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene
CID 57060986
(4aS,10aS)-5-methoxy-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
CID 57114577
(4S,5R)-5-butyl-2,2,4-trimethyl-3,4,5,6-tetrahydrochromene
CID 57215776
4a,5,6,7-tetrahydro-1H-isochromene
CID 57297830
5,6,7,8-tetrahydro-1H-isochromene
CID 57318710

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,6,7,8-tetrahydro-1H-isochromene?
The IUPAC name of 5-methyl-5,6,7,8-tetrahydro-1H-isochromene (CID 90774016) is 5-methyl-5,6,7,8-tetrahydro-1H-isochromene.
What is the SMILES notation for 5-methyl-5,6,7,8-tetrahydro-1H-isochromene?
The canonical SMILES for 5-methyl-5,6,7,8-tetrahydro-1H-isochromene is CC1CCCC2=C1C=COC2.
What is the InChIKey of 5-methyl-5,6,7,8-tetrahydro-1H-isochromene?
The InChIKey is PPBUIUATPQETOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8-3-2-4-9-7-11-6-5-10(8)9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 5-methyl-5,6,7,8-tetrahydro-1H-isochromene?
5-methyl-5,6,7,8-tetrahydro-1H-isochromene has a molecular weight of 150.22 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,6,7,8-tetrahydro-1H-isochromene is sourced from PubChem (CID 90774016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).