2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane

C112H196 — CID 158844254

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane

2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane (PubChem CID 158844254) has the molecular formula C112H196 and a molecular weight of 1542.80 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane.

Molecular Properties

• Compound Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane
• PubChem CID: 158844254
• Molecular Formula: C112H196
• Molecular Weight: 1542.80 g/mol
• Exact Mass: 1541.53
• IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane
• SMILES: C1CC2CC1C2.C1CC2CCC(C1)C2.C1CC2CCC(C1)CC2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC2C1.C1CC2CCCC(C1)C2.C1CC2CCCC2C1.C1CCC2CC(C1)C2.C1CCC2CC2C1.C1CCC2CCC(C1)C2.C1CCC2CCC2C1.C1CCC2CCC2CC1.C1CCC2CCCC2C1
• InChI: InChI=1S/5C9H16.5C8H14.3C7H12.C6H10/c1-3-8-5-2-6-9(4-1)7-8;1-2-5-9-7-3-6-8(9)4-1;1-2-8-4-6-9(3-1)7-5-8;1-2-4-9-6-5-8(3-1)7-9;1-2-4-8-6-7-9(8)5-3-1;1-3-7-5-2-6-8(7)4-1;1-2-8-5-3-7(1)4-6-8;1-2-7-4-5-8(3-1)6-7;1-2-4-8-5-7(3-1)6-8;1-2-4-8-6-5-7(8)3-1;1-2-7-4-3-6(1)5-7;1-2-6-4-5-7(6)3-1;1-2-4-7-5-6(7)3-1;1-2-6-3-5(1)4-6/h5*8-9H,1-7H2;5*7-8H,1-6H2;3*6-7H,1-5H2;5-6H,1-4H2
• InChIKey: IYPXFXZFQONKAN-UHFFFAOYSA-N
• XLogP: 36.21
• TPSA: 0.00 Ų
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1542.80
LogP ≤ 5	36.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane?

The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane (CID 158844254) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane.

What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane?

The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane is C1CC2CC1C2.C1CC2CCC(C1)C2.C1CC2CCC(C1)CC2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC2C1.C1CC2CCCC(C1)C2.C1CC2CCCC2C1.C1CCC2CC(C1)C2.C1CCC2CC2C1.C1CCC2CCC(C1)C2.C1CCC2CCC2C1.C1CCC2CCC2CC1.C1CCC2CCCC2C1.

What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane?

The InChIKey is IYPXFXZFQONKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/5C9H16.5C8H14.3C7H12.C6H10/c1-3-8-5-2-6-9(4-1)7-8;1-2-5-9-7-3-6-8(9)4-1;1-2-8-4-6-9(3-1)7-5-8;1-2-4-9-6-5-8(3-1)7-9;1-2-4-8-6-7-9(8)5-3-1;1-3-7-5-2-6-8(7)4-1;1-2-8-5-3-7(1)4-6-8;1-2-7-4-5-8(3-1)6-7;1-2-4-8-5-7(3-1)6-8;1-2-4-8-6-5-7(8)3-1;1-2-7-4-3-6(1)5-7;1-2-6-4-5-7(6)3-1;1-2-4-7-5-6(7)3-1;1-2-6-3-5(1)4-6/h5*8-9H,1-7H2;5*7-8H,1-6H2;3*6-7H,1-5H2;5-6H,1-4H2.

What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane?

2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane has a molecular weight of 1542.80 g/mol, XLogP of 36.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane is sourced from PubChem (CID 158844254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).