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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane

C92H162 — CID 159945369

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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane

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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane (PubChem CID 159945369) has the molecular formula C92H162 and a molecular weight of 1268.31 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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane.

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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane
• PubChem CID: 159945369
• Molecular Formula: C92H162
• Molecular Weight: 1268.31 g/mol
• Exact Mass: 1267.27
• 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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane
• SMILES: C1=CC2CCCCC2C1.C1=CCC=CC1.C1=CCCC1.C1=CCCC=C1.C1=CCCCC1.C1CC1.C1CC2CCCC2C1.C1CCC1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1
• InChI: InChI=1S/C10H18.C9H16.C9H14.C8H14.C8H16.C7H14.C6H12.C6H10.2C6H8.C5H10.C5H8.C4H8.C3H6/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-5-9-7-3-6-8(9)4-1;1-3-7-5-2-6-8(7)4-1;1-2-4-6-8-7-5-3-1;1-2-4-6-7-5-3-1;4*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h9-10H,1-8H2;8-9H,1-7H2;3,6,8-9H,1-2,4-5,7H2;7-8H,1-6H2;1-8H2;1-7H2;1-6H2;1-2H,3-6H2;1-2,5-6H,3-4H2;1-4H,5-6H2;1-5H2;1-2H,3-5H2;1-4H2;1-3H2
• InChIKey: OBKJRPHJIDMORZ-UHFFFAOYSA-N
• XLogP: 32.18
• TPSA: 0.00 Ų
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1268.31
LogP ≤ 5	32.18
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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane?

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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane (CID 159945369) 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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane.

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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane?

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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane is C1=CC2CCCCC2C1.C1=CCC=CC1.C1=CCCC1.C1=CCCC=C1.C1=CCCCC1.C1CC1.C1CC2CCCC2C1.C1CCC1.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.

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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane?

The InChIKey is OBKJRPHJIDMORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C9H16.C9H14.C8H14.C8H16.C7H14.C6H12.C6H10.2C6H8.C5H10.C5H8.C4H8.C3H6/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-5-9-7-3-6-8(9)4-1;1-3-7-5-2-6-8(7)4-1;1-2-4-6-8-7-5-3-1;1-2-4-6-7-5-3-1;4*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h9-10H,1-8H2;8-9H,1-7H2;3,6,8-9H,1-2,4-5,7H2;7-8H,1-6H2;1-8H2;1-7H2;1-6H2;1-2H,3-6H2;1-2,5-6H,3-4H2;1-4H,5-6H2;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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane?

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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane has a molecular weight of 1268.31 g/mol, XLogP of 32.18, 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;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane is sourced from PubChem (CID 159945369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).