1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane

C26H52 — CID 123523398

IUPAC1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane
SMILESCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C1C(C)C1C(C)C(C)C(C)C
InChIInChI=1S/C26H52/c1-14(2)16(5)18(7)19(8)20(9)21(10)23(12)26-24(13)25(26)22(11)17(6)15(3)4/h14-26H,1-13H3
InChIKeyCKXPJGVFQIOQTL-UHFFFAOYSA-N
MW364.70 g/mol
LogP8.27
Rot. Bonds10

About 1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane

1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane (PubChem CID 123523398) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is 1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane.

Molecular Properties

Compound Name1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane
PubChem CID123523398
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Name1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane
SMILESCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C1C(C)C1C(C)C(C)C(C)C
InChIInChI=1S/C26H52/c1-14(2)16(5)18(7)19(8)20(9)21(10)23(12)26-24(13)25(26)22(11)17(6)15(3)4/h14-26H,1-13H3
InChIKeyCKXPJGVFQIOQTL-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane with MolForge

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Related Compounds

1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane
CID 91327441
2-(3,4-dimethylpentan-2-yl)-1,3,4-trimethylcyclopentane
CID 123864307
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
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-heptacosamethylnonacosane;methane
CID 160593836
3,4,5-trimethylhexan-2-ylcyclopropane
CID 91122499
1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane
CID 91175981
1-(3,4-dimethylpentan-2-yl)-4-methylcyclohexane
CID 123566081
5-[6-(2-ethyl-3-methylcyclopropyl)-3,4,5-trimethylheptan-2-yl]-1-methyl-2-propan-2-ylspiro[2.2]pentane
CID 123906789
2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane
CID 90998982
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
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane
CID 20659071

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane?
The IUPAC name of 1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane (CID 123523398) is 1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane.
What is the SMILES notation for 1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane?
The canonical SMILES for 1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane is CC(C)C(C)C(C)C(C)C(C)C(C)C(C)C1C(C)C1C(C)C(C)C(C)C.
What is the InChIKey of 1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane?
The InChIKey is CKXPJGVFQIOQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52/c1-14(2)16(5)18(7)19(8)20(9)21(10)23(12)26-24(13)25(26)22(11)17(6)15(3)4/h14-26H,1-13H3.
What are the key properties of 1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane?
1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane has a molecular weight of 364.70 g/mol, XLogP of 8.27, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentan-2-yl)-2-(3,4,5,6,7,8-hexamethylnonan-2-yl)-3-methylcyclopropane is sourced from PubChem (CID 123523398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).