deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)

C25H60O2 — CID 165012201

IUPACdeuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)
SMILESC.CC.CC.CC(C)C.CC(C)C1CCOCC1.CC(C)C1CCOCC1.[H][2H]
InChIInChI=1S/2C8H16O.C4H10.2C2H6.CH4.H2/c2*1-7(2)8-3-5-9-6-4-8;1-4(2)3;2*1-2;;/h2*7-8H,3-6H2,1-2H3;4H,1-3H3;2*1-2H3;1H4;1H/i;;;;;;1+1
InChIKeyJWHCFYHWKGSVAS-KTTJZPQESA-N
MW393.76 g/mol
LogP8.73
Rot. Bonds2

About deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)

deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane) (PubChem CID 165012201) has the molecular formula C25H60O2 and a molecular weight of 393.76 g/mol. Its IUPAC name is deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane).

Molecular Properties

Compound Namedeuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)
PubChem CID165012201
Molecular FormulaC25H60O2
Molecular Weight393.76 g/mol
Exact Mass393.47
IUPAC Namedeuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)
SMILESC.CC.CC.CC(C)C.CC(C)C1CCOCC1.CC(C)C1CCOCC1.[H][2H]
InChIInChI=1S/2C8H16O.C4H10.2C2H6.CH4.H2/c2*1-7(2)8-3-5-9-6-4-8;1-4(2)3;2*1-2;;/h2*7-8H,3-6H2,1-2H3;4H,1-3H3;2*1-2H3;1H4;1H/i;;;;;;1+1
InChIKeyJWHCFYHWKGSVAS-KTTJZPQESA-N
XLogP8.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.76
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-propan-2-yloxane;4-propan-2-ylthiane
CID 170972006
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane
CID 158111671
propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
CID 167674182
[oxan-4-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232457
ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)
CID 161339699
ethane;methane;4-methyloxane;molecular hydrogen
CID 143791951
4-(3,3-dimethylbutan-2-yl)oxane
CID 58260872
ethane;methane;propan-2-ylcyclohexane
CID 169430642
ethane;3-propan-2-yloxane
CID 143985480
N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 103781048
4-(3,3,4,4-tetramethylpentan-2-yl)oxane
CID 178120185
1-amino-2-(oxan-4-yl)propan-1-ol
CID 88974259

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)?
The IUPAC name of deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane) (CID 165012201) is deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane).
What is the SMILES notation for deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)?
The canonical SMILES for deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane) is C.CC.CC.CC(C)C.CC(C)C1CCOCC1.CC(C)C1CCOCC1.[H][2H].
What is the InChIKey of deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)?
The InChIKey is JWHCFYHWKGSVAS-KTTJZPQESA-N. The full InChI is InChI=1S/2C8H16O.C4H10.2C2H6.CH4.H2/c2*1-7(2)8-3-5-9-6-4-8;1-4(2)3;2*1-2;;/h2*7-8H,3-6H2,1-2H3;4H,1-3H3;2*1-2H3;1H4;1H/i;;;;;;1+1.
What are the key properties of deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)?
deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane) has a molecular weight of 393.76 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane) is sourced from PubChem (CID 165012201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).