butane;1-deuteriopropane;methane

C9H26 — CID 158758097

IUPACbutane;1-deuteriopropane;methane
SMILESC.C.CCCC.[2H]CCC
InChIInChI=1S/C4H10.C3H8.2CH4/c1-3-4-2;1-3-2;;/h3-4H2,1-2H3;3H2,1-2H3;2*1H4/i;1D;;
InChIKeyIOIBYENSMNZYNL-MOAHSKHNSA-N
MW135.31 g/mol
LogP4.49
Rot. Bonds2

About butane;1-deuteriopropane;methane

butane;1-deuteriopropane;methane (PubChem CID 158758097) has the molecular formula C9H26 and a molecular weight of 135.31 g/mol. Its IUPAC name is butane;1-deuteriopropane;methane.

Molecular Properties

Compound Namebutane;1-deuteriopropane;methane
PubChem CID158758097
Molecular FormulaC9H26
Molecular Weight135.31 g/mol
Exact Mass135.21
IUPAC Namebutane;1-deuteriopropane;methane
SMILESC.C.CCCC.[2H]CCC
InChIInChI=1S/C4H10.C3H8.2CH4/c1-3-4-2;1-3-2;;/h3-4H2,1-2H3;3H2,1-2H3;2*1H4/i;1D;;
InChIKeyIOIBYENSMNZYNL-MOAHSKHNSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;1-deuteriopropane;methane?
The IUPAC name of butane;1-deuteriopropane;methane (CID 158758097) is butane;1-deuteriopropane;methane.
What is the SMILES notation for butane;1-deuteriopropane;methane?
The canonical SMILES for butane;1-deuteriopropane;methane is C.C.CCCC.[2H]CCC.
What is the InChIKey of butane;1-deuteriopropane;methane?
The InChIKey is IOIBYENSMNZYNL-MOAHSKHNSA-N. The full InChI is InChI=1S/C4H10.C3H8.2CH4/c1-3-4-2;1-3-2;;/h3-4H2,1-2H3;3H2,1-2H3;2*1H4/i;1D;;.
What are the key properties of butane;1-deuteriopropane;methane?
butane;1-deuteriopropane;methane has a molecular weight of 135.31 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-deuteriopropane;methane is sourced from PubChem (CID 158758097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).