ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene

C31H60O2 — CID 159839269

IUPACethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene
SMILESCC.CC(=O)CCC(C)C.CC(=O)CCC(C)C.CC(C)Cc1ccccc1.CCC(C)C
InChIInChI=1S/C10H14.2C7H14O.C5H12.C2H6/c1-9(2)8-10-6-4-3-5-7-10;2*1-6(2)4-5-7(3)8;1-4-5(2)3;1-2/h3-7,9H,8H2,1-2H3;2*6H,4-5H2,1-3H3;5H,4H2,1-3H3;1-2H3
InChIKeyNOLZZMWKPCPTGI-UHFFFAOYSA-N
MW464.82 g/mol
LogP9.99
Rot. Bonds9

About ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene

ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene (PubChem CID 159839269) has the molecular formula C31H60O2 and a molecular weight of 464.82 g/mol. Its IUPAC name is ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene.

Molecular Properties

Compound Nameethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene
PubChem CID159839269
Molecular FormulaC31H60O2
Molecular Weight464.82 g/mol
Exact Mass464.46
IUPAC Nameethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene
SMILESCC.CC(=O)CCC(C)C.CC(=O)CCC(C)C.CC(C)Cc1ccccc1.CCC(C)C
InChIInChI=1S/C10H14.2C7H14O.C5H12.C2H6/c1-9(2)8-10-6-4-3-5-7-10;2*1-6(2)4-5-7(3)8;1-4-5(2)3;1-2/h3-7,9H,8H2,1-2H3;2*6H,4-5H2,1-3H3;5H,4H2,1-3H3;1-2H3
InChIKeyNOLZZMWKPCPTGI-UHFFFAOYSA-N
XLogP9.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;bis(2-methylbutane);5-methylhexan-2-imine;bis(4-methylpentan-2-one);2-methylpropylbenzene
CID 159421553
ethane;2-methylpropylbenzene
CID 162200929
5-methylhexan-2-one;4-phenylbutanamide
CID 166139456
5-amino-6-phenylhexan-2-one
CID 90094782
5,6-diphenylhexan-2-one
CID 134938963
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
formic acid;2-methylpropylbenzene
CID 162001374
(5S)-5-methyl-6-phenylhexan-2-one;oxolane
CID 90875451
1-ethyl-4-(2-methylpropyl)benzene;methane;7-methyloctan-2-one;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-2-one
CID 165110065
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
4-[3-(2-methylpropyl)phenyl]butan-2-one
CID 116545690
(2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide
CID 165100579

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene?
The IUPAC name of ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene (CID 159839269) is ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene.
What is the SMILES notation for ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene?
The canonical SMILES for ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene is CC.CC(=O)CCC(C)C.CC(=O)CCC(C)C.CC(C)Cc1ccccc1.CCC(C)C.
What is the InChIKey of ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene?
The InChIKey is NOLZZMWKPCPTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C7H14O.C5H12.C2H6/c1-9(2)8-10-6-4-3-5-7-10;2*1-6(2)4-5-7(3)8;1-4-5(2)3;1-2/h3-7,9H,8H2,1-2H3;2*6H,4-5H2,1-3H3;5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene?
ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene has a molecular weight of 464.82 g/mol, XLogP of 9.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutane;bis(5-methylhexan-2-one);2-methylpropylbenzene is sourced from PubChem (CID 159839269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).