1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane

C24H48 — CID 134834634

IUPAC1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane
SMILESCC(C)C(C(C)C)C1C(C(C(C)C)C(C)C)C1C(C(C)C)C(C)C
InChIInChI=1S/C24H48/c1-13(2)19(14(3)4)22-23(20(15(5)6)16(7)8)24(22)21(17(9)10)18(11)12/h13-24H,1-12H3
InChIKeyQOEKOQRMRDPOQM-UHFFFAOYSA-N
MW336.65 g/mol
LogP7.63
Rot. Bonds9

About 1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane

1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane (PubChem CID 134834634) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane.

Molecular Properties

Compound Name1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane
PubChem CID134834634
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane
SMILESCC(C)C(C(C)C)C1C(C(C(C)C)C(C)C)C1C(C(C)C)C(C)C
InChIInChI=1S/C24H48/c1-13(2)19(14(3)4)22-23(20(15(5)6)16(7)8)24(22)21(17(9)10)18(11)12/h13-24H,1-12H3
InChIKeyQOEKOQRMRDPOQM-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethylbutane;ethane
CID 143330980
2,3-dimethylbutane;methanol
CID 142260145
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
2-methyl(213C)propane
CID 11240418
(2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane
CID 146435893
tris[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]-λ3-iodane
CID 22955678
CID 87569665
CID 87569665
1,1-dibromo-2-methylpropane
CID 11663
(2R)-3-methylbutan-2-amine
CID 6999786
(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
CID 159156264
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
CID 123517328
butane-2,3-diol;propan-2-ol
CID 88653918

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane?
The IUPAC name of 1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane (CID 134834634) is 1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane.
What is the SMILES notation for 1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane?
The canonical SMILES for 1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane is CC(C)C(C(C)C)C1C(C(C(C)C)C(C)C)C1C(C(C)C)C(C)C.
What is the InChIKey of 1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane?
The InChIKey is QOEKOQRMRDPOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-13(2)19(14(3)4)22-23(20(15(5)6)16(7)8)24(22)21(17(9)10)18(11)12/h13-24H,1-12H3.
What are the key properties of 1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane?
1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane has a molecular weight of 336.65 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(2,4-dimethylpentan-3-yl)cyclopropane is sourced from PubChem (CID 134834634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).