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

C10H18 — CID 565932

IUPAC5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CCC2CCCC2C1
InChIInChI=1S/C10H18/c1-8-5-6-9-3-2-4-10(9)7-8/h8-10H,2-7H2,1H3
InChIKeyGCHPEYBINOWUBI-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds

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

5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 565932) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID565932
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CCC2CCCC2C1
InChIInChI=1S/C10H18/c1-8-5-6-9-3-2-4-10(9)7-8/h8-10H,2-7H2,1H3
InChIKeyGCHPEYBINOWUBI-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 565932) is 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1CCC2CCCC2C1.
What is the InChIKey of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is GCHPEYBINOWUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8-5-6-9-3-2-4-10(9)7-8/h8-10H,2-7H2,1H3.
What are the key properties of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 138.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 565932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).