cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane

C56H112 — CID 158906506

IUPACcyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
SMILESC1CCC1.C1CCCCCCC1.CC.CC.CC1CCCC(C2CCCCCC[C@H]2C)CCC1.CC1CCCCCC(C2CCC2)C1.CC1CCCCCCC1
InChIInChI=1S/C18H34.C13H24.C9H18.C8H16.C4H8.2C2H6/c1-15-9-7-12-17(13-8-10-15)18-14-6-4-3-5-11-16(18)2;1-11-6-3-2-4-7-13(10-11)12-8-5-9-12;1-9-7-5-3-2-4-6-8-9;1-2-4-6-8-7-5-3-1;1-2-4-3-1;2*1-2/h15-18H,3-14H2,1-2H3;11-13H,2-10H2,1H3;9H,2-8H2,1H3;1-8H2;1-4H2;2*1-2H3/t15?,16-,17?,18?;;;;;;/m1....../s1
InChIKeyJGCMZTSNKGZPAM-CCCHZPLVSA-N
MW785.51 g/mol
LogP20.69
Rot. Bonds2

About cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane

cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane (PubChem CID 158906506) has the molecular formula C56H112 and a molecular weight of 785.51 g/mol. Its IUPAC name is cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane.

Molecular Properties

Compound Namecyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
PubChem CID158906506
Molecular FormulaC56H112
Molecular Weight785.51 g/mol
Exact Mass784.88
IUPAC Namecyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
SMILESC1CCC1.C1CCCCCCC1.CC.CC.CC1CCCC(C2CCCCCC[C@H]2C)CCC1.CC1CCCCCC(C2CCC2)C1.CC1CCCCCCC1
InChIInChI=1S/C18H34.C13H24.C9H18.C8H16.C4H8.2C2H6/c1-15-9-7-12-17(13-8-10-15)18-14-6-4-3-5-11-16(18)2;1-11-6-3-2-4-7-13(10-11)12-8-5-9-12;1-9-7-5-3-2-4-6-8-9;1-2-4-6-8-7-5-3-1;1-2-4-3-1;2*1-2/h15-18H,3-14H2,1-2H3;11-13H,2-10H2,1H3;9H,2-8H2,1H3;1-8H2;1-4H2;2*1-2H3/t15?,16-,17?,18?;;;;;;/m1....../s1
InChIKeyJGCMZTSNKGZPAM-CCCHZPLVSA-N
XLogP20.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.51
LogP ≤ 520.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane with MolForge

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Related Compounds

1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
CID 159863371
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751812
(1S,4aS,6S,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751793

Frequently Asked Questions

What is the IUPAC name of cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane?
The IUPAC name of cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane (CID 158906506) is cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane.
What is the SMILES notation for cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane?
The canonical SMILES for cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane is C1CCC1.C1CCCCCCC1.CC.CC.CC1CCCC(C2CCCCCC[C@H]2C)CCC1.CC1CCCCCC(C2CCC2)C1.CC1CCCCCCC1.
What is the InChIKey of cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane?
The InChIKey is JGCMZTSNKGZPAM-CCCHZPLVSA-N. The full InChI is InChI=1S/C18H34.C13H24.C9H18.C8H16.C4H8.2C2H6/c1-15-9-7-12-17(13-8-10-15)18-14-6-4-3-5-11-16(18)2;1-11-6-3-2-4-7-13(10-11)12-8-5-9-12;1-9-7-5-3-2-4-6-8-9;1-2-4-6-8-7-5-3-1;1-2-4-3-1;2*1-2/h15-18H,3-14H2,1-2H3;11-13H,2-10H2,1H3;9H,2-8H2,1H3;1-8H2;1-4H2;2*1-2H3/t15?,16-,17?,18?;;;;;;/m1....../s1.
What are the key properties of cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane?
cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane has a molecular weight of 785.51 g/mol, XLogP of 20.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane is sourced from PubChem (CID 158906506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).