1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium

C32H51O3SY- — CID 162019277

IUPAC1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium
SMILESCC(C)=O.CC1(C)CCCCC1.CC1(C)c2ccccc2-c2ccccc21.CS(C)(=O)=O.C[C-](C)C.[Y]
InChIInChI=1S/C15H14.C8H16.C4H9.C3H6O.C2H6O2S.Y/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-8(2)6-4-3-5-7-8;1-4(2)3;1-3(2)4;1-5(2,3)4;/h3-10H,1-2H3;3-7H2,1-2H3;1-3H3;1-2H3;1-2H3;/q;;-1;;;
InChIKeyPPFRCHWHCWCXKD-UHFFFAOYSA-N
MW604.73 g/mol
LogP8.84
Rot. Bonds

About 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium

1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium (PubChem CID 162019277) has the molecular formula C32H51O3SY- and a molecular weight of 604.73 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium.

Molecular Properties

Compound Name1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium
PubChem CID162019277
Molecular FormulaC32H51O3SY-
Molecular Weight604.73 g/mol
Exact Mass604.26
IUPAC Name1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium
SMILESCC(C)=O.CC1(C)CCCCC1.CC1(C)c2ccccc2-c2ccccc21.CS(C)(=O)=O.C[C-](C)C.[Y]
InChIInChI=1S/C15H14.C8H16.C4H9.C3H6O.C2H6O2S.Y/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-8(2)6-4-3-5-7-8;1-4(2)3;1-3(2)4;1-5(2,3)4;/h3-10H,1-2H3;3-7H2,1-2H3;1-3H3;1-2H3;1-2H3;/q;;-1;;;
InChIKeyPPFRCHWHCWCXKD-UHFFFAOYSA-N
XLogP8.84
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.73
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one)
CID 157173024
10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene
CID 161333724
1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;fluoroethane;fluoromethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one
CID 158190668
9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one
CID 159179868
9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one;tetramethylsilane
CID 158611595
9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-dimethoxybenzene;1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;methylsulfanylmethane;methylsulfonylmethane;propane
CID 158820752
tetrakis(9,9-dimethylfluorene);ethane;bis(propan-2-one);(propan-2-ylideneamino) acetate;N-propan-2-ylidenehydroxylamine
CID 158753363
(9,9-dimethylfluoren-2-yl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171939533
biphenylene;propan-2-one
CID 174440223
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid
CID 169461084
4-(9,9-dimethylfluoren-2-yl)but-3-enamide
CID 170798912

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium?
The IUPAC name of 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium (CID 162019277) is 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium.
What is the SMILES notation for 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium?
The canonical SMILES for 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium is CC(C)=O.CC1(C)CCCCC1.CC1(C)c2ccccc2-c2ccccc21.CS(C)(=O)=O.C[C-](C)C.[Y].
What is the InChIKey of 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium?
The InChIKey is PPFRCHWHCWCXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14.C8H16.C4H9.C3H6O.C2H6O2S.Y/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-8(2)6-4-3-5-7-8;1-4(2)3;1-3(2)4;1-5(2,3)4;/h3-10H,1-2H3;3-7H2,1-2H3;1-3H3;1-2H3;1-2H3;/q;;-1;;;.
What are the key properties of 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium?
1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium has a molecular weight of 604.73 g/mol, XLogP of 8.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2-methylpropane;methylsulfonylmethane;propan-2-one;yttrium is sourced from PubChem (CID 162019277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).