butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane

C40H88 — CID 160507844

IUPACbutane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane
SMILESCC.CC1CCCCC1C1CCCCC1.CCC.CCCC.CCCC.CCCC.CCCCC1CCCCC1
InChIInChI=1S/C13H24.C10H20.3C4H10.C3H8.C2H6/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-2-3-7-10-8-5-4-6-9-10;3*1-3-4-2;1-3-2;1-2/h11-13H,2-10H2,1H3;10H,2-9H2,1H3;3*3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyQSQMEVBTHIBTIB-UHFFFAOYSA-N
MW569.14 g/mol
LogP16.01
Rot. Bonds7

About butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane

butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane (PubChem CID 160507844) has the molecular formula C40H88 and a molecular weight of 569.14 g/mol. Its IUPAC name is butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane.

Molecular Properties

Compound Namebutane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane
PubChem CID160507844
Molecular FormulaC40H88
Molecular Weight569.14 g/mol
Exact Mass568.69
IUPAC Namebutane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane
SMILESCC.CC1CCCCC1C1CCCCC1.CCC.CCCC.CCCC.CCCC.CCCCC1CCCCC1
InChIInChI=1S/C13H24.C10H20.3C4H10.C3H8.C2H6/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-2-3-7-10-8-5-4-6-9-10;3*1-3-4-2;1-3-2;1-2/h11-13H,2-10H2,1H3;10H,2-9H2,1H3;3*3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyQSQMEVBTHIBTIB-UHFFFAOYSA-N
XLogP16.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.14
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane with MolForge

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Related Compounds

1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
CID 171376493
CID 171376493
1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane
CID 123393591
(3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane
CID 145240141
1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552772
1-butyl-4-propylcyclononane
CID 123467552
butylcyclohexane;N-methylmethanamine
CID 174941558
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
1-cyclobutyl-2-methylcyclohexane
CID 146763407

Frequently Asked Questions

What is the IUPAC name of butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane?
The IUPAC name of butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane (CID 160507844) is butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane.
What is the SMILES notation for butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane?
The canonical SMILES for butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane is CC.CC1CCCCC1C1CCCCC1.CCC.CCCC.CCCC.CCCC.CCCCC1CCCCC1.
What is the InChIKey of butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane?
The InChIKey is QSQMEVBTHIBTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.C10H20.3C4H10.C3H8.C2H6/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-2-3-7-10-8-5-4-6-9-10;3*1-3-4-2;1-3-2;1-2/h11-13H,2-10H2,1H3;10H,2-9H2,1H3;3*3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane?
butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane has a molecular weight of 569.14 g/mol, XLogP of 16.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane is sourced from PubChem (CID 160507844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).