8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene

C10H18O — CID 89027512

IUPAC8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
SMILESCC1CCCC2CCOCC12
InChIInChI=1S/C10H18O/c1-8-3-2-4-9-5-6-11-7-10(8)9/h8-10H,2-7H2,1H3
InChIKeyGOYVTWZDWSIENW-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds

About 8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene

8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene (PubChem CID 89027512) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene.

Molecular Properties

Compound Name8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
PubChem CID89027512
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
SMILESCC1CCCC2CCOCC12
InChIInChI=1S/C10H18O/c1-8-3-2-4-9-5-6-11-7-10(8)9/h8-10H,2-7H2,1H3
InChIKeyGOYVTWZDWSIENW-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 144510538
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CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
2-methylbicyclo[5.2.0]nonane
CID 90842882
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
4-cyclobutyloxane-3-carboxylic acid
CID 84769408
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The IUPAC name of 8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene (CID 89027512) is 8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene.
What is the SMILES notation for 8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The canonical SMILES for 8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene is CC1CCCC2CCOCC12.
What is the InChIKey of 8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The InChIKey is GOYVTWZDWSIENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8-3-2-4-9-5-6-11-7-10(8)9/h8-10H,2-7H2,1H3.
What are the key properties of 8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene has a molecular weight of 154.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene is sourced from PubChem (CID 89027512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).