butane;deuterium monohydride;methane

C9H32 — CID 157488506

IUPACbutane;deuterium monohydride;methane
SMILESC.C.C.C.C.CCCC.[H][2H]
InChIInChI=1S/C4H10.5CH4.H2/c1-3-4-2;;;;;;/h3-4H2,1-2H3;5*1H4;1H/i;;;;;;1+1
InChIKeyBWZNCGOKCTYHAU-KTTJZPQESA-N
MW141.36 g/mol
LogP5.23
Rot. Bonds1

About butane;deuterium monohydride;methane

butane;deuterium monohydride;methane (PubChem CID 157488506) has the molecular formula C9H32 and a molecular weight of 141.36 g/mol. Its IUPAC name is butane;deuterium monohydride;methane.

Molecular Properties

Compound Namebutane;deuterium monohydride;methane
PubChem CID157488506
Molecular FormulaC9H32
Molecular Weight141.36 g/mol
Exact Mass141.26
IUPAC Namebutane;deuterium monohydride;methane
SMILESC.C.C.C.C.CCCC.[H][2H]
InChIInChI=1S/C4H10.5CH4.H2/c1-3-4-2;;;;;;/h3-4H2,1-2H3;5*1H4;1H/i;;;;;;1+1
InChIKeyBWZNCGOKCTYHAU-KTTJZPQESA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500141.36
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane;deuterium monohydride;methane?
The IUPAC name of butane;deuterium monohydride;methane (CID 157488506) is butane;deuterium monohydride;methane.
What is the SMILES notation for butane;deuterium monohydride;methane?
The canonical SMILES for butane;deuterium monohydride;methane is C.C.C.C.C.CCCC.[H][2H].
What is the InChIKey of butane;deuterium monohydride;methane?
The InChIKey is BWZNCGOKCTYHAU-KTTJZPQESA-N. The full InChI is InChI=1S/C4H10.5CH4.H2/c1-3-4-2;;;;;;/h3-4H2,1-2H3;5*1H4;1H/i;;;;;;1+1.
What are the key properties of butane;deuterium monohydride;methane?
butane;deuterium monohydride;methane has a molecular weight of 141.36 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;deuterium monohydride;methane is sourced from PubChem (CID 157488506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).