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

C10H14O — CID 57207295

IUPAC1-methyl-6,7,8,8a-tetrahydro-1H-isochromene
SMILESCC1OC=CC2=CCCCC21
InChIInChI=1S/C10H14O/c1-8-10-5-3-2-4-9(10)6-7-11-8/h4,6-8,10H,2-3,5H2,1H3
InChIKeyFMBIFIHKCGWICI-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds

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

1-methyl-6,7,8,8a-tetrahydro-1H-isochromene (PubChem CID 57207295) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-methyl-6,7,8,8a-tetrahydro-1H-isochromene.

Molecular Properties

Compound Name1-methyl-6,7,8,8a-tetrahydro-1H-isochromene
PubChem CID57207295
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-methyl-6,7,8,8a-tetrahydro-1H-isochromene
SMILESCC1OC=CC2=CCCCC21
InChIInChI=1S/C10H14O/c1-8-10-5-3-2-4-9(10)6-7-11-8/h4,6-8,10H,2-3,5H2,1H3
InChIKeyFMBIFIHKCGWICI-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

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CID 18678319
Tetrahydro-8-methyl-2h-chromene
CID 129886208
1,1a,2a,3-Tetrahydronaphth(2,3-b)oxirene
CID 6451405
(1R)-1,3-dimethyl-3,4,6,8a-tetrahydro-1H-isochromen-6-ylium
CID 137302550
1-Methoxy-5-methyl-3-methylenecyclohexene
CID 144366
2-cyclohex-2-en-1-yl-4-methyl-2H-pyran
CID 53438111
2,3-dimethoxy-4a,5-dihydro-4H-naphthalene-1-thione
CID 19073813
2-methyl-3,4,4a,5-tetrahydro-2H-chromene
CID 22995355
6-Methoxy-1,2,3,7,8,8a-hexahydronaphthalene
CID 54002746
8,8-Dimethyl-1,6,7,8a-tetrahydroisochromene
CID 57077631
3-Ethoxy-1,2,4a,8a-tetrahydronaphthalene
CID 57127371
6,7,8,8a-tetrahydro-1H-isochromene
CID 57183798

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7,8,8a-tetrahydro-1H-isochromene?
The IUPAC name of 1-methyl-6,7,8,8a-tetrahydro-1H-isochromene (CID 57207295) is 1-methyl-6,7,8,8a-tetrahydro-1H-isochromene.
What is the SMILES notation for 1-methyl-6,7,8,8a-tetrahydro-1H-isochromene?
The canonical SMILES for 1-methyl-6,7,8,8a-tetrahydro-1H-isochromene is CC1OC=CC2=CCCCC21.
What is the InChIKey of 1-methyl-6,7,8,8a-tetrahydro-1H-isochromene?
The InChIKey is FMBIFIHKCGWICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8-10-5-3-2-4-9(10)6-7-11-8/h4,6-8,10H,2-3,5H2,1H3.
What are the key properties of 1-methyl-6,7,8,8a-tetrahydro-1H-isochromene?
1-methyl-6,7,8,8a-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 1-methyl-6,7,8,8a-tetrahydro-1H-isochromene is sourced from PubChem (CID 57207295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).