2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C15H28 — CID 59655988

IUPAC2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1C2CCCCC2C(C)C1C(C)(C)C
InChIInChI=1S/C15H28/c1-10-12-8-6-7-9-13(12)11(2)14(10)15(3,4)5/h10-14H,6-9H2,1-5H3
InChIKeyWVJPGILDACWUOR-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.74
Rot. Bonds

About 2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 59655988) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID59655988
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1C2CCCCC2C(C)C1C(C)(C)C
InChIInChI=1S/C15H28/c1-10-12-8-6-7-9-13(12)11(2)14(10)15(3,4)5/h10-14H,6-9H2,1-5H3
InChIKeyWVJPGILDACWUOR-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 59655988) is 2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1C2CCCCC2C(C)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is WVJPGILDACWUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-10-12-8-6-7-9-13(12)11(2)14(10)15(3,4)5/h10-14H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 208.39 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 59655988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).