2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C28H52 — CID 54237955

IUPAC2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC(C)(C)C.CC1CC2CCCCC2C1C(C)(C)C1C(C)CC2CCCCC21
InChIInChI=1S/C23H40.C5H12/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-5(2,3)4/h15-22H,5-14H2,1-4H3;1-4H3
InChIKeySDCZNQWWKZRKNP-UHFFFAOYSA-N
MW388.72 g/mol
LogP8.99
Rot. Bonds2

About 2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 54237955) has the molecular formula C28H52 and a molecular weight of 388.72 g/mol. Its IUPAC name is 2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID54237955
Molecular FormulaC28H52
Molecular Weight388.72 g/mol
Exact Mass388.41
IUPAC Name2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC(C)(C)C.CC1CC2CCCCC2C1C(C)(C)C1C(C)CC2CCCCC21
InChIInChI=1S/C23H40.C5H12/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-5(2,3)4/h15-22H,5-14H2,1-4H3;1-4H3
InChIKeySDCZNQWWKZRKNP-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.72
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Related Compounds

(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane
CID 90947058
2,2-dimethylpropane;ethane;9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91032407
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
(2-methylcyclopropyl)cyclooctane
CID 19768877
1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
CID 164599475
2-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1-carboxylic acid
CID 178190225
9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91052446
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 54237955) is 2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC(C)(C)C.CC1CC2CCCCC2C1C(C)(C)C1C(C)CC2CCCCC21.
What is the InChIKey of 2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is SDCZNQWWKZRKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40.C5H12/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-5(2,3)4/h15-22H,5-14H2,1-4H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 388.72 g/mol, XLogP of 8.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 54237955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).