(1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane

C131H254 — CID 157262756

About (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane

(1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane (PubChem CID 157262756) has the molecular formula C131H254 and a molecular weight of 1829.47 g/mol. Its IUPAC name is (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane.

Molecular Properties

• Compound Name: (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane
• PubChem CID: 157262756
• Molecular Formula: C131H254
• Molecular Weight: 1829.47 g/mol
• Exact Mass: 1827.99
• IUPAC Name: (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane
• SMILES: CC(C)(C)C1C(C(C)(C)C)[C@H]2CC[C@@H]1C2.CC(C)(C)C1CC2(CC2)CC1C(C)(C)C.CC(C)(C)C1CCCC1C(C)(C)C.CC(C)(C)C1CCCCC1C(C)(C)C.CC(C)(C)C1CC[C@@H]2C[C@@H]2C1C(C)(C)C.CC(C)(C)C1CC[C@H]2C[C@H]2C1C(C)(C)C.CC1CC(C(C)(C)C)C(C(C)(C)C)C1.CC1CCC(C(C)(C)C)C(C(C)(C)C)C1.CC1CCCC(C(C)(C)C)C1C(C)(C)C
• InChI: InChI=1S/4C15H28.2C15H30.2C14H28.C13H26/c1-13(2,3)11-9-15(7-8-15)10-12(11)14(4,5)6;2*1-14(2,3)12-8-7-10-9-11(10)13(12)15(4,5)6;1-14(2,3)12-10-7-8-11(9-10)13(12)15(4,5)6;1-11-8-9-12(14(2,3)4)13(10-11)15(5,6)7;1-11-9-8-10-12(14(2,3)4)13(11)15(5,6)7;1-10-8-11(13(2,3)4)12(9-10)14(5,6)7;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-12(2,3)10-8-7-9-11(10)13(4,5)6/h11-12H,7-10H2,1-6H3;3*10-13H,7-9H2,1-6H3;2*11-13H,8-10H2,1-7H3;10-12H,8-9H2,1-7H3;11-12H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3/t;3*10-,11+,12?,13?;;;;;/m.10....../s1
• InChIKey: AXQOPVDZDSTVFP-MNKRESHZSA-N
• XLogP: 43.49
• TPSA: 0.00 Ų
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1829.47
LogP ≤ 5	43.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane?

The IUPAC name of (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane (CID 157262756) is (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane.

What is the SMILES notation for (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane?

The canonical SMILES for (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane is CC(C)(C)C1C(C(C)(C)C)[C@H]2CC[C@@H]1C2.CC(C)(C)C1CC2(CC2)CC1C(C)(C)C.CC(C)(C)C1CCCC1C(C)(C)C.CC(C)(C)C1CCCCC1C(C)(C)C.CC(C)(C)C1CC[C@@H]2C[C@@H]2C1C(C)(C)C.CC(C)(C)C1CC[C@H]2C[C@H]2C1C(C)(C)C.CC1CC(C(C)(C)C)C(C(C)(C)C)C1.CC1CCC(C(C)(C)C)C(C(C)(C)C)C1.CC1CCCC(C(C)(C)C)C1C(C)(C)C.

What is the InChIKey of (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane?

The InChIKey is AXQOPVDZDSTVFP-MNKRESHZSA-N. The full InChI is InChI=1S/4C15H28.2C15H30.2C14H28.C13H26/c1-13(2,3)11-9-15(7-8-15)10-12(11)14(4,5)6;2*1-14(2,3)12-8-7-10-9-11(10)13(12)15(4,5)6;1-14(2,3)12-10-7-8-11(9-10)13(12)15(4,5)6;1-11-8-9-12(14(2,3)4)13(10-11)15(5,6)7;1-11-9-8-10-12(14(2,3)4)13(11)15(5,6)7;1-10-8-11(13(2,3)4)12(9-10)14(5,6)7;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-12(2,3)10-8-7-9-11(10)13(4,5)6/h11-12H,7-10H2,1-6H3;3*10-13H,7-9H2,1-6H3;2*11-13H,8-10H2,1-7H3;10-12H,8-9H2,1-7H3;11-12H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3/t;3*10-,11+,12?,13?;;;;;/m.10....../s1.

What are the key properties of (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane?

(1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane has a molecular weight of 1829.47 g/mol, XLogP of 43.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4S)-2,3-ditert-butylbicyclo[2.2.1]heptane;(1S,6R)-2,3-ditert-butylbicyclo[4.1.0]heptane;(1R,6S)-2,3-ditert-butylbicyclo[4.1.0]heptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butyl-3-methylcyclohexane;1,2-ditert-butyl-4-methylcyclohexane;1,2-ditert-butyl-4-methylcyclopentane;5,6-ditert-butylspiro[2.4]heptane is sourced from PubChem (CID 157262756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).