3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol

C9H16O2 — CID 586626

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol
SMILESOC1CCC2CCCCC2O1
InChIInChI=1S/C9H16O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-10H,1-6H2
InChIKeyCYWSQFHGSSPMOF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.67
Rot. Bonds

About 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol

3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol (PubChem CID 586626) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol
PubChem CID586626
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol
SMILESOC1CCC2CCCCC2O1
InChIInChI=1S/C9H16O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-10H,1-6H2
InChIKeyCYWSQFHGSSPMOF-UHFFFAOYSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol (CID 586626) is 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol is OC1CCC2CCCCC2O1.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol?
The InChIKey is CYWSQFHGSSPMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-10H,1-6H2.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol?
3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol is sourced from PubChem (CID 586626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).