2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane

C93H192 — CID 158532136

About 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane

2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane (PubChem CID 158532136) has the molecular formula C93H192 and a molecular weight of 1310.56 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane.

Molecular Properties

• Compound Name: 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane
• PubChem CID: 158532136
• Molecular Formula: C93H192
• Molecular Weight: 1310.56 g/mol
• Exact Mass: 1309.50
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane
• SMILES: CC(C)C(C)C(C)C.CCC(C)(C(C)(C)C1C(C)C(C(C)C(C)C(C)C(C)C(C)C(C)C(C)C)C1C(C)C)C(C)(C)C(C)(C)C.CCC(C)(C)C(C)(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)(C)C.CCC(C)C(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C
• InChI: InChI=1S/C37H74.C26H54.C22H46.C8H18/c1-21-37(20,36(18,19)34(13,14)15)35(16,17)33-30(12)32(31(33)23(4)5)29(11)28(10)27(9)26(8)25(7)24(6)22(2)3;1-16-25(12,13)26(14,15)23(8)21(6)19(4)17(2)18(3)20(5)22(7)24(9,10)11;1-15-16(2)17(3)19(7,8)21(11,12)22(13,14)20(9,10)18(4,5)6;1-6(2)8(5)7(3)4/h22-33H,21H2,1-20H3;17-23H,16H2,1-15H3;16-17H,15H2,1-14H3;6-8H,1-5H3
• InChIKey: HNMRGVBJHDAZAV-UHFFFAOYSA-N
• XLogP: 31.83
• TPSA: 0.00 Ų
• Rotatable Bonds: 29
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1310.56
LogP ≤ 5	31.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane?

The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane (CID 158532136) is 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane.

What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane?

The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane is CC(C)C(C)C(C)C.CCC(C)(C(C)(C)C1C(C)C(C(C)C(C)C(C)C(C)C(C)C(C)C(C)C)C1C(C)C)C(C)(C)C(C)(C)C.CCC(C)(C)C(C)(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)(C)C.CCC(C)C(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C.

What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane?

The InChIKey is HNMRGVBJHDAZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74.C26H54.C22H46.C8H18/c1-21-37(20,36(18,19)34(13,14)15)35(16,17)33-30(12)32(31(33)23(4)5)29(11)28(10)27(9)26(8)25(7)24(6)22(2)3;1-16-25(12,13)26(14,15)23(8)21(6)19(4)17(2)18(3)20(5)22(7)24(9,10)11;1-15-16(2)17(3)19(7,8)21(11,12)22(13,14)20(9,10)18(4,5)6;1-6(2)8(5)7(3)4/h22-33H,21H2,1-20H3;17-23H,16H2,1-15H3;16-17H,15H2,1-14H3;6-8H,1-5H3.

What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane?

2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane has a molecular weight of 1310.56 g/mol, XLogP of 31.83, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,4,4,5,5,6,6,7,8-dodecamethyldecane;1-(3-ethyl-2,3,4,4,5,5-hexamethylhexan-2-yl)-3-(3,4,5,6,7,8-hexamethylnonan-2-yl)-2-methyl-4-propan-2-ylcyclobutane;2,2,3,4,5,6,7,8,9,10,10,11,11-tridecamethyltridecane;2,3,4-trimethylpentane is sourced from PubChem (CID 158532136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).