5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene

C11H18O — CID 89099155

IUPAC5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
SMILESC=C1CCC2C(C)CCCC2O1
InChIInChI=1S/C11H18O/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h8,10-11H,2-7H2,1H3
InChIKeyQJQLVADGIBBZNZ-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.12
Rot. Bonds

About 5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene

5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene (PubChem CID 89099155) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene.

Molecular Properties

Compound Name5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
PubChem CID89099155
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
SMILESC=C1CCC2C(C)CCCC2O1
InChIInChI=1S/C11H18O/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h8,10-11H,2-7H2,1H3
InChIKeyQJQLVADGIBBZNZ-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The IUPAC name of 5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene (CID 89099155) is 5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene.
What is the SMILES notation for 5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The canonical SMILES for 5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene is C=C1CCC2C(C)CCCC2O1.
What is the InChIKey of 5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The InChIKey is QJQLVADGIBBZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h8,10-11H,2-7H2,1H3.
What are the key properties of 5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene has a molecular weight of 166.26 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene is sourced from PubChem (CID 89099155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).