6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane

C78H148 — CID 159076202

About 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane

6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane (PubChem CID 159076202) has the molecular formula C78H148 and a molecular weight of 1086.04 g/mol. Its IUPAC name is 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane.

Molecular Properties

• Compound Name: 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane
• PubChem CID: 159076202
• Molecular Formula: C78H148
• Molecular Weight: 1086.04 g/mol
• Exact Mass: 1085.16
• IUPAC Name: 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane
• SMILES: CC(C)C1CC2CCCC(C2)C1.CC(C)C1CCCCCCCC1.CC(C)C1CCCCCCCCC1.CC(C)CCC1CCC2CC1C2(C)C.CC1CC2CC(C1)CC(C(C)C)C2.CCC1CC2CC(C1)CC(C(C)C)C2
• InChI: InChI=1S/2C14H26.C13H24.C13H26.C12H22.C12H24/c1-10(2)5-6-11-7-8-12-9-13(11)14(12,3)4;1-4-11-5-12-7-13(6-11)9-14(8-12)10(2)3;1-9(2)13-7-11-4-10(3)5-12(6-11)8-13;1-12(2)13-10-8-6-4-3-5-7-9-11-13;1-9(2)12-7-10-4-3-5-11(6-10)8-12;1-11(2)12-9-7-5-3-4-6-8-10-12/h10-13H,5-9H2,1-4H3;10-14H,4-9H2,1-3H3;9-13H,4-8H2,1-3H3;12-13H,3-11H2,1-2H3;9-12H,3-8H2,1-2H3;11-12H,3-10H2,1-2H3
• InChIKey: KAGZBVOAVGNMRL-UHFFFAOYSA-N
• XLogP: 26.13
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1086.04
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane?

The IUPAC name of 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane (CID 159076202) is 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane.

What is the SMILES notation for 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane?

The canonical SMILES for 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane is CC(C)C1CC2CCCC(C2)C1.CC(C)C1CCCCCCCC1.CC(C)C1CCCCCCCCC1.CC(C)CCC1CCC2CC1C2(C)C.CC1CC2CC(C1)CC(C(C)C)C2.CCC1CC2CC(C1)CC(C(C)C)C2.

What is the InChIKey of 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane?

The InChIKey is KAGZBVOAVGNMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H26.C13H24.C13H26.C12H22.C12H24/c1-10(2)5-6-11-7-8-12-9-13(11)14(12,3)4;1-4-11-5-12-7-13(6-11)9-14(8-12)10(2)3;1-9(2)13-7-11-4-10(3)5-12(6-11)8-13;1-12(2)13-10-8-6-4-3-5-7-9-11-13;1-9(2)12-7-10-4-3-5-11(6-10)8-12;1-11(2)12-9-7-5-3-4-6-8-10-12/h10-13H,5-9H2,1-4H3;10-14H,4-9H2,1-3H3;9-13H,4-8H2,1-3H3;12-13H,3-11H2,1-2H3;9-12H,3-8H2,1-2H3;11-12H,3-10H2,1-2H3.

What are the key properties of 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane?

6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane has a molecular weight of 1086.04 g/mol, XLogP of 26.13, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane is sourced from PubChem (CID 159076202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).