2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C10H18O — CID 66596856

IUPAC2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCOC1CC2CCCCC2C1
InChIInChI=1S/C10H18O/c1-11-10-6-8-4-2-3-5-9(8)7-10/h8-10H,2-7H2,1H3
InChIKeyGKLHPUGQFPYLEQ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds1

About 2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 66596856) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID66596856
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCOC1CC2CCCCC2C1
InChIInChI=1S/C10H18O/c1-11-10-6-8-4-2-3-5-9(8)7-10/h8-10H,2-7H2,1H3
InChIKeyGKLHPUGQFPYLEQ-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 66596856) is 2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is COC1CC2CCCCC2C1.
What is the InChIKey of 2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is GKLHPUGQFPYLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-11-10-6-8-4-2-3-5-9(8)7-10/h8-10H,2-7H2,1H3.
What are the key properties of 2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 154.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 66596856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).