cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane

C45H86 — CID 159024570

IUPACcyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane
SMILESC1CC(C2CCC2C2CCC2)C1.C1CC1.CC.CC1CCC(C2CCC(C)CC2)CC1.CC1CCCCC1.CC1CCCCC1
InChIInChI=1S/C14H26.C12H20.2C7H14.C3H6.C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-9(4-1)11-7-8-12(11)10-5-2-6-10;2*1-7-5-3-2-4-6-7;1-2-3-1;1-2/h11-14H,3-10H2,1-2H3;9-12H,1-8H2;2*7H,2-6H2,1H3;1-3H2;1-2H3
InChIKeyJUCVHGRVMIPZDL-UHFFFAOYSA-N
MW627.18 g/mol
LogP15.62
Rot. Bonds3

About cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane

cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 159024570) has the molecular formula C45H86 and a molecular weight of 627.18 g/mol. Its IUPAC name is cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Namecyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane
PubChem CID159024570
Molecular FormulaC45H86
Molecular Weight627.18 g/mol
Exact Mass626.67
IUPAC Namecyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane
SMILESC1CC(C2CCC2C2CCC2)C1.C1CC1.CC.CC1CCC(C2CCC(C)CC2)CC1.CC1CCCCC1.CC1CCCCC1
InChIInChI=1S/C14H26.C12H20.2C7H14.C3H6.C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-9(4-1)11-7-8-12(11)10-5-2-6-10;2*1-7-5-3-2-4-6-7;1-2-3-1;1-2/h11-14H,3-10H2,1-2H3;9-12H,1-8H2;2*7H,2-6H2,1H3;1-3H2;1-2H3
InChIKeyJUCVHGRVMIPZDL-UHFFFAOYSA-N
XLogP15.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.18
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane with MolForge

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Related Compounds

1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
CID 159863371
1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 143294229
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1,3-dicyclohexyl-2,7-dimethylcyclodecane
CID 20676902
ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 143732334
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764

Frequently Asked Questions

What is the IUPAC name of cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane (CID 159024570) is cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane is C1CC(C2CCC2C2CCC2)C1.C1CC1.CC.CC1CCC(C2CCC(C)CC2)CC1.CC1CCCCC1.CC1CCCCC1.
What is the InChIKey of cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is JUCVHGRVMIPZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.C12H20.2C7H14.C3H6.C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-9(4-1)11-7-8-12(11)10-5-2-6-10;2*1-7-5-3-2-4-6-7;1-2-3-1;1-2/h11-14H,3-10H2,1-2H3;9-12H,1-8H2;2*7H,2-6H2,1H3;1-3H2;1-2H3.
What are the key properties of cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane?
cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 627.18 g/mol, XLogP of 15.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;1,2-di(cyclobutyl)cyclobutane;ethane;bis(methylcyclohexane);1-methyl-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 159024570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).