2-deuterio-2-methoxybutane

C5H12O — CID 59893079

IUPAC2-deuterio-2-methoxybutane
SMILES[2H]C(C)(CC)OC
InChIInChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/i5D
InChIKeyFVNIMHIOIXPIQT-UICOGKGYSA-N
MW89.16 g/mol
LogP1.43
Rot. Bonds2

About 2-deuterio-2-methoxybutane

2-deuterio-2-methoxybutane (PubChem CID 59893079) has the molecular formula C5H12O and a molecular weight of 89.16 g/mol. Its IUPAC name is 2-deuterio-2-methoxybutane.

Molecular Properties

Compound Name2-deuterio-2-methoxybutane
PubChem CID59893079
Molecular FormulaC5H12O
Molecular Weight89.16 g/mol
Exact Mass89.10
IUPAC Name2-deuterio-2-methoxybutane
SMILES[2H]C(C)(CC)OC
InChIInChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/i5D
InChIKeyFVNIMHIOIXPIQT-UICOGKGYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;2-methoxybutane
CID 162124465
triethyl(1-methoxyethyl)phosphanium
CID 23415371
(1R)-1-methoxy-2-methylbutan-1-ol
CID 88580756
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(2R,3S)-2-methoxypentan-3-ol
CID 13427568
(2R,3R)-3-bromo-2-methoxypentane
CID 6430987
distrontium;1-methoxypropan-1-olate;propan-2-olate
CID 158924035
CID 173228118
CID 173228118
copper bis(3-methylpentan-2-olate)
CID 87166052
8-methoxynonan-3-ol
CID 140998506
(3R,4R)-3-methoxy-2,2,4-trimethylhexane
CID 177079402
2-methylbutane
CID 159175971

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-methoxybutane?
The IUPAC name of 2-deuterio-2-methoxybutane (CID 59893079) is 2-deuterio-2-methoxybutane.
What is the SMILES notation for 2-deuterio-2-methoxybutane?
The canonical SMILES for 2-deuterio-2-methoxybutane is [2H]C(C)(CC)OC.
What is the InChIKey of 2-deuterio-2-methoxybutane?
The InChIKey is FVNIMHIOIXPIQT-UICOGKGYSA-N. The full InChI is InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/i5D.
What are the key properties of 2-deuterio-2-methoxybutane?
2-deuterio-2-methoxybutane has a molecular weight of 89.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-methoxybutane is sourced from PubChem (CID 59893079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).