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

C10H18O — CID 58800826

IUPAC8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
SMILESCC12CCCCC1CCCO2
InChIInChI=1S/C10H18O/c1-10-7-3-2-5-9(10)6-4-8-11-10/h9H,2-8H2,1H3
InChIKeyDUZSXMZBBRJMPF-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.75
Rot. Bonds

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

8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene (PubChem CID 58800826) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene.

Molecular Properties

Compound Name8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
PubChem CID58800826
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
SMILESCC12CCCCC1CCCO2
InChIInChI=1S/C10H18O/c1-10-7-3-2-5-9(10)6-4-8-11-10/h9H,2-8H2,1H3
InChIKeyDUZSXMZBBRJMPF-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene?
The IUPAC name of 8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene (CID 58800826) is 8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene.
What is the SMILES notation for 8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene?
The canonical SMILES for 8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene is CC12CCCCC1CCCO2.
What is the InChIKey of 8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene?
The InChIKey is DUZSXMZBBRJMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10-7-3-2-5-9(10)6-4-8-11-10/h9H,2-8H2,1H3.
What are the key properties of 8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene?
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene has a molecular weight of 154.25 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene is sourced from PubChem (CID 58800826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).