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

C11H18O — CID 23391655

IUPAC4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
SMILESC=C1CC(C)C2CCCCC2O1
InChIInChI=1S/C11H18O/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h8,10-11H,2-7H2,1H3
InChIKeyZZZQAUQPXOUUBD-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.12
Rot. Bonds

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

4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene (PubChem CID 23391655) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene.

Molecular Properties

Compound Name4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
PubChem CID23391655
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
SMILESC=C1CC(C)C2CCCCC2O1
InChIInChI=1S/C11H18O/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h8,10-11H,2-7H2,1H3
InChIKeyZZZQAUQPXOUUBD-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 4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The IUPAC name of 4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene (CID 23391655) is 4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene.
What is the SMILES notation for 4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The canonical SMILES for 4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene is C=C1CC(C)C2CCCCC2O1.
What is the InChIKey of 4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The InChIKey is ZZZQAUQPXOUUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h8,10-11H,2-7H2,1H3.
What are the key properties of 4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
4-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 4-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene is sourced from PubChem (CID 23391655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).