deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene)

C104H197FO2 — CID 158988415

IUPACdeuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene)
SMILESC.C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[H][2H].[H][H].[H][H].[H][H]
InChIInChI=1S/C8H9F.6C8H16.2C8H14.2C8H10.2C7H14O.2CH4.4H2/c1-6-3-4-7(2)8(9)5-6;10*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;;;;;;/h3-5H,1-2H3;6*7-8H,3-6H2,1-2H3;2*3,8H,4-6H2,1-2H3;2*3-6H,1-2H3;2*6-7H,3-5H2,1-2H3;2*1H4;4*1H/i;;;;;;;;;;;;;;;1+1;;;
InChIKeyJPVZURGNOWFFMT-MAUUBSFCSA-N
MW1499.72 g/mol
LogP35.45
Rot. Bonds

About deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene)

deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene) (PubChem CID 158988415) has the molecular formula C104H197FO2 and a molecular weight of 1499.72 g/mol. Its IUPAC name is deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene).

Molecular Properties

Compound Namedeuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene)
PubChem CID158988415
Molecular FormulaC104H197FO2
Molecular Weight1499.72 g/mol
Exact Mass1498.54
IUPAC Namedeuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene)
SMILESC.C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[H][2H].[H][H].[H][H].[H][H]
InChIInChI=1S/C8H9F.6C8H16.2C8H14.2C8H10.2C7H14O.2CH4.4H2/c1-6-3-4-7(2)8(9)5-6;10*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;;;;;;/h3-5H,1-2H3;6*7-8H,3-6H2,1-2H3;2*3,8H,4-6H2,1-2H3;2*3-6H,1-2H3;2*6-7H,3-5H2,1-2H3;2*1H4;4*1H/i;;;;;;;;;;;;;;;1+1;;;
InChIKeyJPVZURGNOWFFMT-MAUUBSFCSA-N
XLogP35.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001499.72
LogP ≤ 535.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene)?
The IUPAC name of deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene) (CID 158988415) is deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene).
What is the SMILES notation for deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene)?
The canonical SMILES for deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene) is C.C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[H][2H].[H][H].[H][H].[H][H].
What is the InChIKey of deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene)?
The InChIKey is JPVZURGNOWFFMT-MAUUBSFCSA-N. The full InChI is InChI=1S/C8H9F.6C8H16.2C8H14.2C8H10.2C7H14O.2CH4.4H2/c1-6-3-4-7(2)8(9)5-6;10*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;;;;;;/h3-5H,1-2H3;6*7-8H,3-6H2,1-2H3;2*3,8H,4-6H2,1-2H3;2*3-6H,1-2H3;2*6-7H,3-5H2,1-2H3;2*1H4;4*1H/i;;;;;;;;;;;;;;;1+1;;;.
What are the key properties of deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene)?
deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene) has a molecular weight of 1499.72 g/mol, XLogP of 35.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;hexakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);2-fluoro-1,4-dimethylbenzene;methane;molecular hydrogen;bis(1,4-xylene) is sourced from PubChem (CID 158988415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).