2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene

C15H22 — CID 166025871

IUPAC2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene
SMILESCC1=C2CCCC2=C(C)C2CC(C)CC12
InChIInChI=1S/C15H22/c1-9-7-14-10(2)12-5-4-6-13(12)11(3)15(14)8-9/h9,14-15H,4-8H2,1-3H3
InChIKeyXAQXCMFTZSONDT-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.48
Rot. Bonds

About 2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene

2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene (PubChem CID 166025871) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene.

Molecular Properties

Compound Name2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene
PubChem CID166025871
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene
SMILESCC1=C2CCCC2=C(C)C2CC(C)CC12
InChIInChI=1S/C15H22/c1-9-7-14-10(2)12-5-4-6-13(12)11(3)15(14)8-9/h9,14-15H,4-8H2,1-3H3
InChIKeyXAQXCMFTZSONDT-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene?
The IUPAC name of 2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene (CID 166025871) is 2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene.
What is the SMILES notation for 2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene?
The canonical SMILES for 2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene is CC1=C2CCCC2=C(C)C2CC(C)CC12.
What is the InChIKey of 2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene?
The InChIKey is XAQXCMFTZSONDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-9-7-14-10(2)12-5-4-6-13(12)11(3)15(14)8-9/h9,14-15H,4-8H2,1-3H3.
What are the key properties of 2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene?
2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene has a molecular weight of 202.34 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene is sourced from PubChem (CID 166025871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).