(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene

C10H18 — CID 71361825

IUPAC(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
SMILESC[C@@]12CCCC[C@H]1CCC2
InChIInChI=1S/C10H18/c1-10-7-3-2-5-9(10)6-4-8-10/h9H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyGGWBGCSGJCRVIQ-UWVGGRQHSA-N
MW138.25 g/mol
LogP3.37
Rot. Bonds

About (3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene

(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene (PubChem CID 71361825) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene.

Molecular Properties

Compound Name(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
PubChem CID71361825
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
SMILESC[C@@]12CCCC[C@H]1CCC2
InChIInChI=1S/C10H18/c1-10-7-3-2-5-9(10)6-4-8-10/h9H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyGGWBGCSGJCRVIQ-UWVGGRQHSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 638018

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene?
The IUPAC name of (3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene (CID 71361825) is (3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene.
What is the SMILES notation for (3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene?
The canonical SMILES for (3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene is C[C@@]12CCCC[C@H]1CCC2.
What is the InChIKey of (3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene?
The InChIKey is GGWBGCSGJCRVIQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18/c1-10-7-3-2-5-9(10)6-4-8-10/h9H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene?
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene has a molecular weight of 138.25 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene is sourced from PubChem (CID 71361825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).