4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane

C190H366O6S24 — CID 159919498

About 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane

4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane (PubChem CID 159919498) has the molecular formula C190H366O6S24 and a molecular weight of 3516.62 g/mol. Its IUPAC name is 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane.

Molecular Properties

• Compound Name: 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane
• PubChem CID: 159919498
• Molecular Formula: C190H366O6S24
• Molecular Weight: 3516.62 g/mol
• Exact Mass: 3512.16
• IUPAC Name: 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane
• SMILES: C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2CC1C1CC3C4CCC(C4)C3C21.CC(C)COC1CC2CC1C1CCCC21.CC(C)COC1CC2CC1C1CCCC21.CCC1CC2CCC1C2.CCC1CC2CCC1C2.CCCCCC1CC2CC1C1CCCC21.CCCCOC1CC2CC1C1C3CC(C4CCCC43)C21.CCCOC1CC2CC1C1C3CC(C4CCCC43)C21.CCCOC1CC2CC1C1CCCC21.CCCSC1CC2CC1C1CCCC21.CCOC1CC2CC1C1CCCC21.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CSC
• InChI: InChI=1S/C19H30O.C18H28O.2C15H22.C15H26.2C14H24O.C13H22O.C13H22S.C12H20O.2C9H16.C2H6S.22CH4S/c1-2-3-7-20-17-9-11-8-16(17)19-15-10-14(18(11)19)12-5-4-6-13(12)15;1-2-6-19-16-8-10-7-15(16)18-14-9-13(17(10)18)11-4-3-5-12(11)14;1-3-10-5-8(1)12-7-13-9-2-4-11(6-9)15(13)14(10)12;1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14;1-2-3-4-6-11-9-12-10-15(11)14-8-5-7-13(12)14;2*1-9(2)8-15-14-7-10-6-13(14)12-5-3-4-11(10)12;2*1-2-6-14-13-8-9-7-12(13)11-5-3-4-10(9)11;1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10;2*1-2-8-5-7-3-4-9(8)6-7;1-3-2;22*1-2/h11-19H,2-10H2,1H3;10-18H,2-9H2,1H3;2*8-15H,1-7H2;11-15H,2-10H2,1H3;2*9-14H,3-8H2,1-2H3;2*9-13H,2-8H2,1H3;8-12H,2-7H2,1H3;2*7-9H,2-6H2,1H3;1-2H3;22*2H,1H3
• InChIKey: NYFFEUQAWVPTFV-UHFFFAOYSA-N
• XLogP: 56.36
• TPSA: 55.38 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3516.62
LogP ≤ 5	56.36
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane?

The IUPAC name of 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane (CID 159919498) is 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane.

What is the SMILES notation for 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane?

The canonical SMILES for 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane is C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2CC1C1CC3C4CCC(C4)C3C21.CC(C)COC1CC2CC1C1CCCC21.CC(C)COC1CC2CC1C1CCCC21.CCC1CC2CCC1C2.CCC1CC2CCC1C2.CCCCCC1CC2CC1C1CCCC21.CCCCOC1CC2CC1C1C3CC(C4CCCC43)C21.CCCOC1CC2CC1C1C3CC(C4CCCC43)C21.CCCOC1CC2CC1C1CCCC21.CCCSC1CC2CC1C1CCCC21.CCOC1CC2CC1C1CCCC21.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CS.CSC.

What is the InChIKey of 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane?

The InChIKey is NYFFEUQAWVPTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O.C18H28O.2C15H22.C15H26.2C14H24O.C13H22O.C13H22S.C12H20O.2C9H16.C2H6S.22CH4S/c1-2-3-7-20-17-9-11-8-16(17)19-15-10-14(18(11)19)12-5-4-6-13(12)15;1-2-6-19-16-8-10-7-15(16)18-14-9-13(17(10)18)11-4-3-5-12(11)14;1-3-10-5-8(1)12-7-13-9-2-4-11(6-9)15(13)14(10)12;1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14;1-2-3-4-6-11-9-12-10-15(11)14-8-5-7-13(12)14;2*1-9(2)8-15-14-7-10-6-13(14)12-5-3-4-11(10)12;2*1-2-6-14-13-8-9-7-12(13)11-5-3-4-10(9)11;1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10;2*1-2-8-5-7-3-4-9(8)6-7;1-3-2;22*1-2/h11-19H,2-10H2,1H3;10-18H,2-9H2,1H3;2*8-15H,1-7H2;11-15H,2-10H2,1H3;2*9-14H,3-8H2,1-2H3;2*9-13H,2-8H2,1H3;8-12H,2-7H2,1H3;2*7-9H,2-6H2,1H3;1-2H3;22*2H,1H3.

What are the key properties of 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane?

4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane has a molecular weight of 3516.62 g/mol, XLogP of 56.36, 27 rotatable bonds, 22 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-ethoxytricyclo[5.2.1.02,6]decane;bis(2-ethylbicyclo[2.2.1]heptane);methanethiol;bis(8-(2-methylpropoxy)tricyclo[5.2.1.02,6]decane);methylsulfanylmethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane;8-pentyltricyclo[5.2.1.02,6]decane;4-propoxypentacyclo[6.5.1.13,6.02,7.09,13]pentadecane;8-propoxytricyclo[5.2.1.02,6]decane;8-propylsulfanyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 159919498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).