butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+)

C41H72O2Ru — CID 162289030

IUPACbutan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+)
SMILESC1CCCC1.CCC(C)C1CCCC1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)CC)cc1.[CH3-].[CH3-].[Ru+2]
InChIInChI=1S/C15H24O.C10H14O.C9H18.C5H10.2CH3.Ru/c1-6-12(3)13-8-10-14(11-9-13)16-15(4,5)7-2;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-6-4-5-7-9;1-2-4-5-3-1;;;/h8-12H,6-7H2,1-5H3;4-8,11H,3H2,1-2H3;8-9H,3-7H2,1-2H3;1-5H2;2*1H3;/q;;;;2*-1;+2
InChIKeyYOXAFRKIWFFVHG-UHFFFAOYSA-N
MW698.10 g/mol
LogP13.74
Rot. Bonds9

About butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+)

butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+) (PubChem CID 162289030) has the molecular formula C41H72O2Ru and a molecular weight of 698.10 g/mol. Its IUPAC name is butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+).

Molecular Properties

Compound Namebutan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+)
PubChem CID162289030
Molecular FormulaC41H72O2Ru
Molecular Weight698.10 g/mol
Exact Mass698.46
IUPAC Namebutan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+)
SMILESC1CCCC1.CCC(C)C1CCCC1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)CC)cc1.[CH3-].[CH3-].[Ru+2]
InChIInChI=1S/C15H24O.C10H14O.C9H18.C5H10.2CH3.Ru/c1-6-12(3)13-8-10-14(11-9-13)16-15(4,5)7-2;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-6-4-5-7-9;1-2-4-5-3-1;;;/h8-12H,6-7H2,1-5H3;4-8,11H,3H2,1-2H3;8-9H,3-7H2,1-2H3;1-5H2;2*1H3;/q;;;;2*-1;+2
InChIKeyYOXAFRKIWFFVHG-UHFFFAOYSA-N
XLogP13.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.10
LogP ≤ 513.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+) with MolForge

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Related Compounds

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1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
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4-butan-2-ylphenol;(4-hydroxyphenyl) 2,2-dimethylbutanoate
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CID 159180214
4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
CID 131968930
[(4-butan-2-ylphenyl)-chloromethyl]cyclooctane
CID 65023335
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CID 123713671
4-(1-hydroxy-2-methylpropan-2-yl)oxyphenol
CID 67201302
2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid
CID 82484792
4-[1-(1-cyclohexylpropylamino)ethyl]phenol
CID 62407507

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+)?
The IUPAC name of butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+) (CID 162289030) is butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+).
What is the SMILES notation for butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+)?
The canonical SMILES for butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+) is C1CCCC1.CCC(C)C1CCCC1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)CC)cc1.[CH3-].[CH3-].[Ru+2].
What is the InChIKey of butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+)?
The InChIKey is YOXAFRKIWFFVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C10H14O.C9H18.C5H10.2CH3.Ru/c1-6-12(3)13-8-10-14(11-9-13)16-15(4,5)7-2;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-6-4-5-7-9;1-2-4-5-3-1;;;/h8-12H,6-7H2,1-5H3;4-8,11H,3H2,1-2H3;8-9H,3-7H2,1-2H3;1-5H2;2*1H3;/q;;;;2*-1;+2.
What are the key properties of butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+)?
butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+) has a molecular weight of 698.10 g/mol, XLogP of 13.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+) is sourced from PubChem (CID 162289030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).