(8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

C10H18O2 — CID 138598662

IUPAC(8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCOC1CCC2CCCC[C@H]2O1
InChIInChI=1S/C10H18O2/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h8-10H,2-7H2,1H3/t8?,9-,10?/m1/s1
InChIKeyOCHCLYSTSPSMKY-HWOCKDDLSA-N
MW170.25 g/mol
LogP2.33
Rot. Bonds1

About (8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

(8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (PubChem CID 138598662) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.

Molecular Properties

Compound Name(8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
PubChem CID138598662
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCOC1CCC2CCCC[C@H]2O1
InChIInChI=1S/C10H18O2/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h8-10H,2-7H2,1H3/t8?,9-,10?/m1/s1
InChIKeyOCHCLYSTSPSMKY-HWOCKDDLSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The IUPAC name of (8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (CID 138598662) is (8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.
What is the SMILES notation for (8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The canonical SMILES for (8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is COC1CCC2CCCC[C@H]2O1.
What is the InChIKey of (8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The InChIKey is OCHCLYSTSPSMKY-HWOCKDDLSA-N. The full InChI is InChI=1S/C10H18O2/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h8-10H,2-7H2,1H3/t8?,9-,10?/m1/s1.
What are the key properties of (8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
(8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene has a molecular weight of 170.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is sourced from PubChem (CID 138598662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).