1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane

C87H186 — CID 162115588

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane (PubChem CID 162115588) has the molecular formula C87H186 and a molecular weight of 1232.44 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane.

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane
• PubChem CID: 162115588
• Molecular Formula: C87H186
• Molecular Weight: 1232.44 g/mol
• Exact Mass: 1231.46
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane
• SMILES: C1CC2C3CCC(C3)C2C1.C1CC2CC1C1C3CCC(C3)C21.C1CC2CCC1C2.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
• InChI: InChI=1S/C12H18.C10H16.C10H18.C9H16.C7H12.C6H12.C5H10.14C2H6/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-2-7-4-3-6(1)5-7;1-2-4-6-5-3-1;1-2-4-5-3-1;14*1-2/h7-12H,1-6H2;7-10H,1-6H2;9-10H,1-8H2;8-9H,1-7H2;6-7H,1-5H2;1-6H2;1-5H2;14*1-2H3
• InChIKey: ZGSIPEILDVIGJW-UHFFFAOYSA-N
• XLogP: 33.11
• TPSA: 0.00 Ų
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1232.44
LogP ≤ 5	33.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane (CID 162115588) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane.

What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane is C1CC2C3CCC(C3)C2C1.C1CC2CC1C1C3CCC(C3)C21.C1CC2CCC1C2.C1CCC2CCCC2C1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.

What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane?

The InChIKey is ZGSIPEILDVIGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C10H16.C10H18.C9H16.C7H12.C6H12.C5H10.14C2H6/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-2-7-4-3-6(1)5-7;1-2-4-6-5-3-1;1-2-4-5-3-1;14*1-2/h7-12H,1-6H2;7-10H,1-6H2;9-10H,1-8H2;8-9H,1-7H2;6-7H,1-5H2;1-6H2;1-5H2;14*1-2H3.

What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane?

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane has a molecular weight of 1232.44 g/mol, XLogP of 33.11, 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;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[2.2.1]heptane;cyclohexane;cyclopentane;ethane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 162115588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).