1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane

C24H48 — CID 123816239

IUPAC1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane
SMILESCCCC(C)(C)CC1C(C)C1C(CC(C)C(C)C(C)CC)C(C)C
InChIInChI=1S/C24H48/c1-11-13-24(9,10)15-22-20(8)23(22)21(16(3)4)14-18(6)19(7)17(5)12-2/h16-23H,11-15H2,1-10H3
InChIKeyWQWFLNIIMSEJIX-UHFFFAOYSA-N
MW336.65 g/mol
LogP8.07
Rot. Bonds11

About 1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane

1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane (PubChem CID 123816239) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane.

Molecular Properties

Compound Name1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane
PubChem CID123816239
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane
SMILESCCCC(C)(C)CC1C(C)C1C(CC(C)C(C)C(C)CC)C(C)C
InChIInChI=1S/C24H48/c1-11-13-24(9,10)15-22-20(8)23(22)21(16(3)4)14-18(6)19(7)17(5)12-2/h16-23H,11-15H2,1-10H3
InChIKeyWQWFLNIIMSEJIX-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123844660
3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane
CID 90852009
3-ethyl-3,4,6,7,8-pentamethyldecane
CID 123231235
2,2,3,4,5-pentamethylheptane
CID 53428630
3,4,5,9-tetramethyl-7-propyldodecane
CID 91586333
N-ethyl-2,3-dimethyl-N-(2-methylpentan-2-yl)pentan-1-amine
CID 126705682
3,5,5-trimethyloctan-2-amine
CID 123362443
(4S)-2,3,4-trimethylhexane
CID 58359072
2-(2,2-dimethylbutyl)-3-(2,2-dimethylpentyl)oxirane
CID 123952297
7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
CID 90819140
3,4,5,7-tetramethylundecane
CID 123179058
4,4-dimethyl-2-propan-2-yloxyheptane
CID 123988910

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane?
The IUPAC name of 1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane (CID 123816239) is 1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane.
What is the SMILES notation for 1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane?
The canonical SMILES for 1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane is CCCC(C)(C)CC1C(C)C1C(CC(C)C(C)C(C)CC)C(C)C.
What is the InChIKey of 1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane?
The InChIKey is WQWFLNIIMSEJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-11-13-24(9,10)15-22-20(8)23(22)21(16(3)4)14-18(6)19(7)17(5)12-2/h16-23H,11-15H2,1-10H3.
What are the key properties of 1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane?
1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane has a molecular weight of 336.65 g/mol, XLogP of 8.07, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpentyl)-2-methyl-3-(2,5,6,7-tetramethylnonan-3-yl)cyclopropane is sourced from PubChem (CID 123816239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).