3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene

C17H30 — CID 145299659

IUPAC3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCC1CC(C)(C2CCCCC2)C2CCCCC12
InChIInChI=1S/C17H30/c1-13-12-17(2,14-8-4-3-5-9-14)16-11-7-6-10-15(13)16/h13-16H,3-12H2,1-2H3
InChIKeyHEMMKODGZNCLOI-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.42
Rot. Bonds1

About 3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene

3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene (PubChem CID 145299659) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene.

Molecular Properties

Compound Name3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
PubChem CID145299659
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCC1CC(C)(C2CCCCC2)C2CCCCC12
InChIInChI=1S/C17H30/c1-13-12-17(2,14-8-4-3-5-9-14)16-11-7-6-10-15(13)16/h13-16H,3-12H2,1-2H3
InChIKeyHEMMKODGZNCLOI-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene?
The IUPAC name of 3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene (CID 145299659) is 3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene.
What is the SMILES notation for 3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene?
The canonical SMILES for 3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene is CC1CC(C)(C2CCCCC2)C2CCCCC12.
What is the InChIKey of 3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene?
The InChIKey is HEMMKODGZNCLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-13-12-17(2,14-8-4-3-5-9-14)16-11-7-6-10-15(13)16/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene?
3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene has a molecular weight of 234.43 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene is sourced from PubChem (CID 145299659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).