tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane

C60H112 — CID 173316090

IUPACtris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane
SMILESCC1CCCC(C2(C)CCCC(C)(C)C2(C)C)C1.CC1CCCC(C2CCCC(C)C2)C1.CC1CCCC(C2CCCC(C)C2)C1.CC1CCCC(C2CCCC(C)C2)C1
InChIInChI=1S/C18H34.3C14H26/c1-14-9-7-10-15(13-14)18(6)12-8-11-16(2,3)17(18,4)5;3*1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h14-15H,7-13H2,1-6H3;3*11-14H,3-10H2,1-2H3
InChIKeyGMHBIWJFNJYFCG-UHFFFAOYSA-N
MW833.56 g/mol
LogP19.97
Rot. Bonds4

About tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane

tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane (PubChem CID 173316090) has the molecular formula C60H112 and a molecular weight of 833.56 g/mol. Its IUPAC name is tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Nametris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane
PubChem CID173316090
Molecular FormulaC60H112
Molecular Weight833.56 g/mol
Exact Mass832.88
IUPAC Nametris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane
SMILESCC1CCCC(C2(C)CCCC(C)(C)C2(C)C)C1.CC1CCCC(C2CCCC(C)C2)C1.CC1CCCC(C2CCCC(C)C2)C1.CC1CCCC(C2CCCC(C)C2)C1
InChIInChI=1S/C18H34.3C14H26/c1-14-9-7-10-15(13-14)18(6)12-8-11-16(2,3)17(18,4)5;3*1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h14-15H,7-13H2,1-6H3;3*11-14H,3-10H2,1-2H3
InChIKeyGMHBIWJFNJYFCG-UHFFFAOYSA-N
XLogP19.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.56
LogP ≤ 519.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane
CID 160680109
1-chloro-3-(3-methylcyclohexyl)cyclohexane
CID 64514707
ethane;methane;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162271460
1-(3-bromocyclopentyl)-3-methylcyclohexane
CID 64506480
(1R)-1,3-dimethylcyclohexane
CID 12594306
1,5-di(cyclooctyl)-3-methylcyclooctane
CID 123162765
4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 81020677
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile
CID 101485758
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160

Frequently Asked Questions

What is the IUPAC name of tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane?
The IUPAC name of tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane (CID 173316090) is tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane.
What is the SMILES notation for tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane?
The canonical SMILES for tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane is CC1CCCC(C2(C)CCCC(C)(C)C2(C)C)C1.CC1CCCC(C2CCCC(C)C2)C1.CC1CCCC(C2CCCC(C)C2)C1.CC1CCCC(C2CCCC(C)C2)C1.
What is the InChIKey of tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane?
The InChIKey is GMHBIWJFNJYFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34.3C14H26/c1-14-9-7-10-15(13-14)18(6)12-8-11-16(2,3)17(18,4)5;3*1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h14-15H,7-13H2,1-6H3;3*11-14H,3-10H2,1-2H3.
What are the key properties of tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane?
tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane has a molecular weight of 833.56 g/mol, XLogP of 19.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-methyl-3-(3-methylcyclohexyl)cyclohexane);1,1,2,2,3-pentamethyl-3-(3-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 173316090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).