1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C56H92 — CID 158531435

IUPAC1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)C2CCCCC21.CC1(C)CCC(C)(C)c2ccccc21.CC1C(C)(C)C2CCCCC2C1(C)C.CC1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C14H26.C14H20.C14H26.C14H20/c2*1-10-13(2,3)11-8-6-7-9-12(11)14(10,4)5;2*1-13(2)9-10-14(3,4)12-8-6-5-7-11(12)13/h10-12H,6-9H2,1-5H3;6-10H,1-5H3;11-12H,5-10H2,1-4H3;5-8H,9-10H2,1-4H3
InChIKeyHNKPUSHGYWDXSW-UHFFFAOYSA-N
MW765.35 g/mol
LogP17.06
Rot. Bonds

About 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene

1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 158531435) has the molecular formula C56H92 and a molecular weight of 765.35 g/mol. Its IUPAC name is 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID158531435
Molecular FormulaC56H92
Molecular Weight765.35 g/mol
Exact Mass764.72
IUPAC Name1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)C2CCCCC21.CC1(C)CCC(C)(C)c2ccccc21.CC1C(C)(C)C2CCCCC2C1(C)C.CC1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C14H26.C14H20.C14H26.C14H20/c2*1-10-13(2,3)11-8-6-7-9-12(11)14(10,4)5;2*1-13(2)9-10-14(3,4)12-8-6-5-7-11(12)13/h10-12H,6-9H2,1-5H3;6-10H,1-5H3;11-12H,5-10H2,1-4H3;5-8H,9-10H2,1-4H3
InChIKeyHNKPUSHGYWDXSW-UHFFFAOYSA-N
XLogP17.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.35
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 158531435) is 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene is CC1(C)CCC(C)(C)C2CCCCC21.CC1(C)CCC(C)(C)c2ccccc21.CC1C(C)(C)C2CCCCC2C1(C)C.CC1C(C)(C)c2ccccc2C1(C)C.
What is the InChIKey of 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is HNKPUSHGYWDXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.C14H20.C14H26.C14H20/c2*1-10-13(2,3)11-8-6-7-9-12(11)14(10,4)5;2*1-13(2)9-10-14(3,4)12-8-6-5-7-11(12)13/h10-12H,6-9H2,1-5H3;6-10H,1-5H3;11-12H,5-10H2,1-4H3;5-8H,9-10H2,1-4H3.
What are the key properties of 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 765.35 g/mol, XLogP of 17.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene;1,1,2,3,3-pentamethyl-2H-indene;5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 158531435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).