7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene

C14H24 — CID 585406

IUPAC7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene
SMILESCC(C)CC1=C2CCCCC2(C)CC1
InChIInChI=1S/C14H24/c1-11(2)10-12-7-9-14(3)8-5-4-6-13(12)14/h11H,4-10H2,1-3H3
InChIKeyBPTHDNDBUOBTAC-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.70
Rot. Bonds2

About 7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene

7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene (PubChem CID 585406) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene.

Molecular Properties

Compound Name7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene
PubChem CID585406
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene
SMILESCC(C)CC1=C2CCCCC2(C)CC1
InChIInChI=1S/C14H24/c1-11(2)10-12-7-9-14(3)8-5-4-6-13(12)14/h11H,4-10H2,1-3H3
InChIKeyBPTHDNDBUOBTAC-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene?
The IUPAC name of 7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene (CID 585406) is 7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene.
What is the SMILES notation for 7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene?
The canonical SMILES for 7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene is CC(C)CC1=C2CCCCC2(C)CC1.
What is the InChIKey of 7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene?
The InChIKey is BPTHDNDBUOBTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-11(2)10-12-7-9-14(3)8-5-4-6-13(12)14/h11H,4-10H2,1-3H3.
What are the key properties of 7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene?
7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene has a molecular weight of 192.35 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-3-(2-methylpropyl)-1,2,4,5,6,7-hexahydroindene is sourced from PubChem (CID 585406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).