butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+)

C43H82F3NOU — CID 176921685

IUPACbutane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+)
SMILESCC/C=C(C)\C=C(\COC)N(C)c1ccc(CC(F)(F)F)cc1.CCCC.CCCC.CCCCCC(C)CC.[CH2-]CC.[CH2-]CCCC.[U+2]
InChIInChI=1S/C18H24F3NO.C9H20.C5H11.2C4H10.C3H7.U/c1-5-6-14(2)11-17(13-23-4)22(3)16-9-7-15(8-10-16)12-18(19,20)21;1-4-6-7-8-9(3)5-2;1-3-5-4-2;2*1-3-4-2;1-3-2;/h6-11H,5,12-13H2,1-4H3;9H,4-8H2,1-3H3;1,3-5H2,2H3;2*3-4H2,1-2H3;1,3H2,2H3;/q;;-1;;;-1;+2/b14-6-,17-11-;;;;;;
InChIKeyVTONUSGJHKWVMH-ZXRZXWJWSA-N
MW924.16 g/mol
LogP15.58
Rot. Bonds16

About butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+)

butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+) (PubChem CID 176921685) has the molecular formula C43H82F3NOU and a molecular weight of 924.16 g/mol. Its IUPAC name is butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+).

Molecular Properties

Compound Namebutane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+)
PubChem CID176921685
Molecular FormulaC43H82F3NOU
Molecular Weight924.16 g/mol
Exact Mass923.69
IUPAC Namebutane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+)
SMILESCC/C=C(C)\C=C(\COC)N(C)c1ccc(CC(F)(F)F)cc1.CCCC.CCCC.CCCCCC(C)CC.[CH2-]CC.[CH2-]CCCC.[U+2]
InChIInChI=1S/C18H24F3NO.C9H20.C5H11.2C4H10.C3H7.U/c1-5-6-14(2)11-17(13-23-4)22(3)16-9-7-15(8-10-16)12-18(19,20)21;1-4-6-7-8-9(3)5-2;1-3-5-4-2;2*1-3-4-2;1-3-2;/h6-11H,5,12-13H2,1-4H3;9H,4-8H2,1-3H3;1,3-5H2,2H3;2*3-4H2,1-2H3;1,3H2,2H3;/q;;-1;;;-1;+2/b14-6-,17-11-;;;;;;
InChIKeyVTONUSGJHKWVMH-ZXRZXWJWSA-N
XLogP15.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.16
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+) with MolForge

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Related Compounds

N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline
CID 176921686
N-methyl-N-[(2Z,4Z)-4-methylhepta-2,4-dien-2-yl]-4-(2,2,2-trifluoroethyl)aniline
CID 176921198
butane;3,5-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]pyrazole;3-methyloctane;6-propyl-2-oxa-6-azaspiro[3.3]heptane
CID 176922064
1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene
CID 138652147
butane;3-methyloctane;1,4-xylene
CID 144940276
N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline
CID 141463679
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
1,4-bis(4-methylhexyl)benzene
CID 145016441

Frequently Asked Questions

What is the IUPAC name of butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+)?
The IUPAC name of butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+) (CID 176921685) is butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+).
What is the SMILES notation for butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+)?
The canonical SMILES for butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+) is CC/C=C(C)\C=C(\COC)N(C)c1ccc(CC(F)(F)F)cc1.CCCC.CCCC.CCCCCC(C)CC.[CH2-]CC.[CH2-]CCCC.[U+2].
What is the InChIKey of butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+)?
The InChIKey is VTONUSGJHKWVMH-ZXRZXWJWSA-N. The full InChI is InChI=1S/C18H24F3NO.C9H20.C5H11.2C4H10.C3H7.U/c1-5-6-14(2)11-17(13-23-4)22(3)16-9-7-15(8-10-16)12-18(19,20)21;1-4-6-7-8-9(3)5-2;1-3-5-4-2;2*1-3-4-2;1-3-2;/h6-11H,5,12-13H2,1-4H3;9H,4-8H2,1-3H3;1,3-5H2,2H3;2*3-4H2,1-2H3;1,3H2,2H3;/q;;-1;;;-1;+2/b14-6-,17-11-;;;;;;.
What are the key properties of butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+)?
butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+) has a molecular weight of 924.16 g/mol, XLogP of 15.58, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline;3-methyloctane;pentane;propane;uranium(2+) is sourced from PubChem (CID 176921685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).