6-methyl-8,8a-dihydro-1H-isochromene

C10H12O — CID 91328626

IUPAC6-methyl-8,8a-dihydro-1H-isochromene
SMILESCC1=CCC2COC=CC2=C1
InChIInChI=1S/C10H12O/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2,4-6,10H,3,7H2,1H3
InChIKeyGOEBEPMDZNDNRH-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.42
Rot. Bonds

About 6-methyl-8,8a-dihydro-1H-isochromene

6-methyl-8,8a-dihydro-1H-isochromene (PubChem CID 91328626) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 6-methyl-8,8a-dihydro-1H-isochromene.

Molecular Properties

Compound Name6-methyl-8,8a-dihydro-1H-isochromene
PubChem CID91328626
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name6-methyl-8,8a-dihydro-1H-isochromene
SMILESCC1=CCC2COC=CC2=C1
InChIInChI=1S/C10H12O/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2,4-6,10H,3,7H2,1H3
InChIKeyGOEBEPMDZNDNRH-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4aH-Isochromen
CID 19966602
1,9a-Dihydrobenzo[f][2]benzofuran
CID 22463394
3-methyl-4aH-isochromene
CID 91227635
6-fluoro-4-methyl-3,4,7,8-tetrahydro-2H-chromene
CID 153361550
1-Methylene-6-methoxymethyl-2,4-cyclohexadiene
CID 12596345
4a,10a-dihydro-1H-benzo[g]isochromene
CID 54527377
6,7,8,8a-tetrahydro-1H-isochromene
CID 57183798
1-methyl-6,7,8,8a-tetrahydro-1H-isochromene
CID 57207295
1-(2-Methylpropoxy)-4a,8a-dihydronaphthalene
CID 58190039
6-Ethyl-1-methoxycyclohexa-1,3-diene
CID 59679188
1-Methoxy-4-methyl-4a,8a-dihydronaphthalene
CID 59700518
5-methyl-8H-isochromene
CID 67778584

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8,8a-dihydro-1H-isochromene?
The IUPAC name of 6-methyl-8,8a-dihydro-1H-isochromene (CID 91328626) is 6-methyl-8,8a-dihydro-1H-isochromene.
What is the SMILES notation for 6-methyl-8,8a-dihydro-1H-isochromene?
The canonical SMILES for 6-methyl-8,8a-dihydro-1H-isochromene is CC1=CCC2COC=CC2=C1.
What is the InChIKey of 6-methyl-8,8a-dihydro-1H-isochromene?
The InChIKey is GOEBEPMDZNDNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2,4-6,10H,3,7H2,1H3.
What are the key properties of 6-methyl-8,8a-dihydro-1H-isochromene?
6-methyl-8,8a-dihydro-1H-isochromene has a molecular weight of 148.20 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8,8a-dihydro-1H-isochromene is sourced from PubChem (CID 91328626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).