1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane

C64H108 — CID 162270471

IUPAC1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane
SMILESC.C.CC1=C(C)C2=C(C)C(C)=C(C)C3=C(C)C(C)=C(C)C(=C1C)C23.CC1C(C)C(C)C2C(C)C(C)C(C)C2C1C.CC1C(C)C2C(C)C(C)C3C(C)C(C)C(C)C4C(C)C(C1C)C2C34
InChIInChI=1S/C24H42.C22H28.C16H30.2CH4/c1-10-12(3)19-16(7)17(8)20-13(4)11(2)15(6)22-18(9)21(14(10)5)23(19)24(20)22;1-10-13(4)19-15(6)11(2)17(8)21-18(9)12(3)16(7)20(14(10)5)22(19)21;1-8-9(2)12(5)16-14(7)10(3)13(6)15(16)11(8)4;;/h10-24H,1-9H3;22H,1-9H3;8-16H,1-7H3;2*1H4
InChIKeyIHWPXBDBZXHCEU-UHFFFAOYSA-N
MW877.57 g/mol
LogP19.04
Rot. Bonds

About 1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane

1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane (PubChem CID 162270471) has the molecular formula C64H108 and a molecular weight of 877.57 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane
PubChem CID162270471
Molecular FormulaC64H108
Molecular Weight877.57 g/mol
Exact Mass876.85
IUPAC Name1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane
SMILESC.C.CC1=C(C)C2=C(C)C(C)=C(C)C3=C(C)C(C)=C(C)C(=C1C)C23.CC1C(C)C(C)C2C(C)C(C)C(C)C2C1C.CC1C(C)C2C(C)C(C)C3C(C)C(C)C(C)C4C(C)C(C1C)C2C34
InChIInChI=1S/C24H42.C22H28.C16H30.2CH4/c1-10-12(3)19-16(7)17(8)20-13(4)11(2)15(6)22-18(9)21(14(10)5)23(19)24(20)22;1-10-13(4)19-15(6)11(2)17(8)21-18(9)12(3)16(7)20(14(10)5)22(19)21;1-8-9(2)12(5)16-14(7)10(3)13(6)15(16)11(8)4;;/h10-24H,1-9H3;22H,1-9H3;8-16H,1-7H3;2*1H4
InChIKeyIHWPXBDBZXHCEU-UHFFFAOYSA-N
XLogP19.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.57
LogP ≤ 519.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane?
The IUPAC name of 1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane (CID 162270471) is 1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane.
What is the SMILES notation for 1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane?
The canonical SMILES for 1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane is C.C.CC1=C(C)C2=C(C)C(C)=C(C)C3=C(C)C(C)=C(C)C(=C1C)C23.CC1C(C)C(C)C2C(C)C(C)C(C)C2C1C.CC1C(C)C2C(C)C(C)C3C(C)C(C)C(C)C4C(C)C(C1C)C2C34.
What is the InChIKey of 1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane?
The InChIKey is IHWPXBDBZXHCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42.C22H28.C16H30.2CH4/c1-10-12(3)19-16(7)17(8)20-13(4)11(2)15(6)22-18(9)21(14(10)5)23(19)24(20)22;1-10-13(4)19-15(6)11(2)17(8)21-18(9)12(3)16(7)20(14(10)5)22(19)21;1-8-9(2)12(5)16-14(7)10(3)13(6)15(16)11(8)4;;/h10-24H,1-9H3;22H,1-9H3;8-16H,1-7H3;2*1H4.
What are the key properties of 1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane?
1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane has a molecular weight of 877.57 g/mol, XLogP of 19.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane is sourced from PubChem (CID 162270471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).