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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;1,2,3,4-tetrahydronaphthalene

C151H252 — CID 159015005

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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;1,2,3,4-tetrahydronaphthalene (PubChem CID 159015005) has the molecular formula C151H252 and a molecular weight of 2067.68 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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;1,2,3,4-tetrahydronaphthalene
• PubChem CID: 159015005
• Molecular Formula: C151H252
• Molecular Weight: 2067.68 g/mol
• Exact Mass: 2065.97
• 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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;1,2,3,4-tetrahydronaphthalene
• SMILES: C1=CC2CCC1C2.C1=CC2CCCC2=C1.C1=CC2CCCCC2C1.C1=CCC=CC1.C1=CCCC1.C1=CCCC=C1.C1=CCCCC1.C1CC1.C1CC2CC(C1)C2.C1CC2CC12.C1CC2CC2C1.C1CC2CCC(C1)CC2.C1CC2CCC1C2.C1CC2CCCC2C1.C1CCC1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C10H18.C10H12.C9H16.C9H14.C9H16.C8H14.C8H10.C8H16.C7H12.C7H10.C7H12.C7H14.C6H10.C6H12.C6H10.2C6H8.C5H8.C5H10.C5H8.C4H8.C3H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-5-9-7-3-6-8(9)4-1;1-2-8-4-6-9(3-1)7-5-8;2*1-3-7-5-2-6-8(7)4-1;1-2-4-6-8-7-5-3-1;2*1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;1-2-4-6-7-5-3-1;1-2-5-4-6(5)3-1;4*1-2-4-6-5-3-1;1-2-5-3-4(1)5;2*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h9-10H,1-8H2;1-2,5-6H,3-4,7-8H2;8-9H,1-7H2;3,6,8-9H,1-2,4-5,7H2;8-9H,1-7H2;7-8H,1-6H2;1,3-4,7H,2,5-6H2;1-8H2;6-7H,1-5H2;1-2,6-7H,3-5H2;6-7H,1-5H2;1-7H2;5-6H,1-4H2;1-6H2;1-2H,3-6H2;1-2,5-6H,3-4H2;1-4H,5-6H2;4-5H,1-3H2;1-5H2;1-2H,3-5H2;1-4H2;1-3H2
• InChIKey: JSZAPESHQGQYFW-UHFFFAOYSA-N
• XLogP: 49.60
• TPSA: 0.00 Ų
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2067.68
LogP ≤ 5	49.60
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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;1,2,3,4-tetrahydronaphthalene (CID 159015005) 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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;1,2,3,4-tetrahydronaphthalene is C1=CC2CCC1C2.C1=CC2CCCC2=C1.C1=CC2CCCCC2C1.C1=CCC=CC1.C1=CCCC1.C1=CCCC=C1.C1=CCCCC1.C1CC1.C1CC2CC(C1)C2.C1CC2CC12.C1CC2CC2C1.C1CC2CCC(C1)CC2.C1CC2CCC1C2.C1CC2CCCC2C1.C1CCC1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;1,2,3,4-tetrahydronaphthalene?

The InChIKey is JSZAPESHQGQYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C10H12.C9H16.C9H14.C9H16.C8H14.C8H10.C8H16.C7H12.C7H10.C7H12.C7H14.C6H10.C6H12.C6H10.2C6H8.C5H8.C5H10.C5H8.C4H8.C3H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-5-9-7-3-6-8(9)4-1;1-2-8-4-6-9(3-1)7-5-8;2*1-3-7-5-2-6-8(7)4-1;1-2-4-6-8-7-5-3-1;2*1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;1-2-4-6-7-5-3-1;1-2-5-4-6(5)3-1;4*1-2-4-6-5-3-1;1-2-5-3-4(1)5;2*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h9-10H,1-8H2;1-2,5-6H,3-4,7-8H2;8-9H,1-7H2;3,6,8-9H,1-2,4-5,7H2;8-9H,1-7H2;7-8H,1-6H2;1,3-4,7H,2,5-6H2;1-8H2;6-7H,1-5H2;1-2,6-7H,3-5H2;6-7H,1-5H2;1-7H2;5-6H,1-4H2;1-6H2;1-2H,3-6H2;1-2,5-6H,3-4H2;1-4H,5-6H2;4-5H,1-3H2;1-5H2;1-2H,3-5H2;1-4H2;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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;1,2,3,4-tetrahydronaphthalene has a molecular weight of 2067.68 g/mol, XLogP of 49.60, 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[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[3.2.2]nonane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159015005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).