bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane

C62H108 — CID 159153074

About bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane

bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane (PubChem CID 159153074) has the molecular formula C62H108 and a molecular weight of 853.55 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane.

Molecular Properties

• Compound Name: bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane
• PubChem CID: 159153074
• Molecular Formula: C62H108
• Molecular Weight: 853.55 g/mol
• Exact Mass: 852.85
• IUPAC Name: bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane
• SMILES: C1C2CC1C2.C1CC2CC(C1)C2.C1CC2CC1C2.C1CC2CCC(C1)C2.C1CC2CCC1C2.C1CCC2(CC1)CCCC2.C1CCC2(CC1)CCCCC2.C1CCC2CC(C1)C2
• InChI: InChI=1S/C11H20.C10H18.2C8H14.2C7H12.C6H10.C5H8/c1-3-7-11(8-4-1)9-5-2-6-10-11;1-2-6-10(7-3-1)8-4-5-9-10;1-2-7-4-5-8(3-1)6-7;1-2-4-8-5-7(3-1)6-8;1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;1-2-6-3-5(1)4-6;1-4-2-5(1)3-4/h1-10H2;1-9H2;2*7-8H,1-6H2;2*6-7H,1-5H2;5-6H,1-4H2;4-5H,1-3H2
• InChIKey: KJNXKCUFFDYPTI-UHFFFAOYSA-N
• XLogP: 20.20
• TPSA: 0.00 Ų
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.55
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane?

The IUPAC name of bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane (CID 159153074) is bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane.

What is the SMILES notation for bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane?

The canonical SMILES for bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane is C1C2CC1C2.C1CC2CC(C1)C2.C1CC2CC1C2.C1CC2CCC(C1)C2.C1CC2CCC1C2.C1CCC2(CC1)CCCC2.C1CCC2(CC1)CCCCC2.C1CCC2CC(C1)C2.

What is the InChIKey of bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane?

The InChIKey is KJNXKCUFFDYPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C10H18.2C8H14.2C7H12.C6H10.C5H8/c1-3-7-11(8-4-1)9-5-2-6-10-11;1-2-6-10(7-3-1)8-4-5-9-10;1-2-7-4-5-8(3-1)6-7;1-2-4-8-5-7(3-1)6-8;1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;1-2-6-3-5(1)4-6;1-4-2-5(1)3-4/h1-10H2;1-9H2;2*7-8H,1-6H2;2*6-7H,1-5H2;5-6H,1-4H2;4-5H,1-3H2.

What are the key properties of bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane?

bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane has a molecular weight of 853.55 g/mol, XLogP of 20.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane is sourced from PubChem (CID 159153074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).