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

C15H26O — CID 154967101

IUPAC7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
SMILESC1CCC(C2CCC3CCOCC3C2)CC1
InChIInChI=1S/C15H26O/c1-2-4-12(5-3-1)14-7-6-13-8-9-16-11-15(13)10-14/h12-15H,1-11H2
InChIKeySVEAJMABMYSGKU-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.02
Rot. Bonds1

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

7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene (PubChem CID 154967101) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene.

Molecular Properties

Compound Name7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
PubChem CID154967101
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
SMILESC1CCC(C2CCC3CCOCC3C2)CC1
InChIInChI=1S/C15H26O/c1-2-4-12(5-3-1)14-7-6-13-8-9-16-11-15(13)10-14/h12-15H,1-11H2
InChIKeySVEAJMABMYSGKU-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran-7-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-7-yl]-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran
CID 146491978
5-(1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-yl)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 143811684
bicyclo[21.1.0]tetracosane
CID 123789596
bicyclo[11.1.0]tetradecane
CID 90981498
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3R)-3-[(3S)-oxan-3-yl]oxane
CID 122223544
3-cyclohexylcyclopentan-1-ol
CID 64515309
2-(4-bromocyclohexyl)-6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143742441
3-(3-bromocyclopentyl)oxane
CID 107137872

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The IUPAC name of 7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene (CID 154967101) is 7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene.
What is the SMILES notation for 7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The canonical SMILES for 7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene is C1CCC(C2CCC3CCOCC3C2)CC1.
What is the InChIKey of 7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
The InChIKey is SVEAJMABMYSGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-4-12(5-3-1)14-7-6-13-8-9-16-11-15(13)10-14/h12-15H,1-11H2.
What are the key properties of 7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene?
7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene has a molecular weight of 222.37 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene is sourced from PubChem (CID 154967101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).