ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)

C67H132 — CID 157279018

About ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)

ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene) (PubChem CID 157279018) has the molecular formula C67H132 and a molecular weight of 937.79 g/mol. Its IUPAC name is ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene).

Molecular Properties

• Compound Name: ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)
• PubChem CID: 157279018
• Molecular Formula: C67H132
• Molecular Weight: 937.79 g/mol
• Exact Mass: 937.03
• IUPAC Name: ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)
• SMILES: CC.CC.CC.CC.CC1CC2CCC(C)C2C1C.CC1CC2CCC(C)C2C1C.CC1CC2CCCC(C)C2C1C.CC1CCC2CCC(C)C2C1C.CC1CCC2CCCC(C)C2C1C
• InChI: InChI=1S/C13H24.2C12H22.2C11H20.4C2H6/c1-9-7-8-12-6-4-5-10(2)13(12)11(9)3;1-8-4-6-11-7-5-9(2)12(11)10(8)3;1-8-5-4-6-11-7-9(2)10(3)12(8)11;2*1-7-4-5-10-6-8(2)9(3)11(7)10;4*1-2/h9-13H,4-8H2,1-3H3;2*8-12H,4-7H2,1-3H3;2*7-11H,4-6H2,1-3H3;4*1-2H3
• InChIKey: AZLDRPSGFYKGLF-UHFFFAOYSA-N
• XLogP: 22.29
• TPSA: 0.00 Ų
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.79
LogP ≤ 5	22.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)?

The IUPAC name of ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene) (CID 157279018) is ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene).

What is the SMILES notation for ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)?

The canonical SMILES for ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene) is CC.CC.CC.CC.CC1CC2CCC(C)C2C1C.CC1CC2CCC(C)C2C1C.CC1CC2CCCC(C)C2C1C.CC1CCC2CCC(C)C2C1C.CC1CCC2CCCC(C)C2C1C.

What is the InChIKey of ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)?

The InChIKey is AZLDRPSGFYKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.2C12H22.2C11H20.4C2H6/c1-9-7-8-12-6-4-5-10(2)13(12)11(9)3;1-8-4-6-11-7-5-9(2)12(11)10(8)3;1-8-5-4-6-11-7-9(2)10(3)12(8)11;2*1-7-4-5-10-6-8(2)9(3)11(7)10;4*1-2/h9-13H,4-8H2,1-3H3;2*8-12H,4-7H2,1-3H3;2*7-11H,4-6H2,1-3H3;4*1-2H3.

What are the key properties of ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)?

ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene) has a molecular weight of 937.79 g/mol, XLogP of 22.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene) is sourced from PubChem (CID 157279018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).