1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene

C99H156 — CID 165053676

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene (PubChem CID 165053676) has the molecular formula C99H156 and a molecular weight of 1346.34 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene
• PubChem CID: 165053676
• Molecular Formula: C99H156
• Molecular Weight: 1346.34 g/mol
• Exact Mass: 1345.22
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene
• SMILES: C1=CC2CCCC2=C1.C1=CC2CCCCC2C1.C1CC2CC12.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCCC(C1)C2.C1CC2CCCC2C1.C1CCC2CC2C1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C10H18.C10H12.2C9H16.C9H14.C9H10.C8H14.C8H10.C8H14.2C7H12.C5H8/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-3-8-5-2-6-9(4-1)7-8;3*1-2-5-9-7-3-6-8(9)4-1;2*1-3-7-5-2-6-8(7)4-1;1-2-8-5-3-7(1)4-6-8;1-2-7-4-3-6(1)5-7;1-2-4-7-5-6(7)3-1;1-2-5-3-4(1)5/h9-10H,1-8H2;1-2,5-6H,3-4,7-8H2;2*8-9H,1-7H2;3,6,8-9H,1-2,4-5,7H2;1-2,4-5H,3,6-7H2;7-8H,1-6H2;1,3-4,7H,2,5-6H2;7-8H,1-6H2;2*6-7H,1-5H2;4-5H,1-3H2
• InChIKey: QBJCZHJDZZSGQD-UHFFFAOYSA-N
• XLogP: 30.08
• TPSA: 0.00 Ų
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1346.34
LogP ≤ 5	30.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene (CID 165053676) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene is C1=CC2CCCC2=C1.C1=CC2CCCCC2C1.C1CC2CC12.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCCC(C1)C2.C1CC2CCCC2C1.C1CCC2CC2C1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.

What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene?

The InChIKey is QBJCZHJDZZSGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C10H12.2C9H16.C9H14.C9H10.C8H14.C8H10.C8H14.2C7H12.C5H8/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-3-8-5-2-6-9(4-1)7-8;3*1-2-5-9-7-3-6-8(9)4-1;2*1-3-7-5-2-6-8(7)4-1;1-2-8-5-3-7(1)4-6-8;1-2-7-4-3-6(1)5-7;1-2-4-7-5-6(7)3-1;1-2-5-3-4(1)5/h9-10H,1-8H2;1-2,5-6H,3-4,7-8H2;2*8-9H,1-7H2;3,6,8-9H,1-2,4-5,7H2;1-2,4-5H,3,6-7H2;7-8H,1-6H2;1,3-4,7H,2,5-6H2;7-8H,1-6H2;2*6-7H,1-5H2;4-5H,1-3H2.

What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene?

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene has a molecular weight of 1346.34 g/mol, XLogP of 30.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;3a,4,5,6,7,7a-hexahydro-1H-indene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,3a-tetrahydropentalene;bicyclo[2.2.1]heptane;bicyclo[4.1.0]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;2,3-dihydro-1H-indene;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 165053676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).