1-(deuteriomethoxy)propan-2-ol

C4H10O2 — CID 59895561

IUPAC1-(deuteriomethoxy)propan-2-ol
SMILES[2H]COCC(C)O
InChIInChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/i2D
InChIKeyARXJGSRGQADJSQ-VMNATFBRSA-N
MW91.13 g/mol
LogP0.01
Rot. Bonds3

About 1-(deuteriomethoxy)propan-2-ol

1-(deuteriomethoxy)propan-2-ol (PubChem CID 59895561) has the molecular formula C4H10O2 and a molecular weight of 91.13 g/mol. Its IUPAC name is 1-(deuteriomethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(deuteriomethoxy)propan-2-ol
PubChem CID59895561
Molecular FormulaC4H10O2
Molecular Weight91.13 g/mol
Exact Mass91.07
IUPAC Name1-(deuteriomethoxy)propan-2-ol
SMILES[2H]COCC(C)O
InChIInChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/i2D
InChIKeyARXJGSRGQADJSQ-VMNATFBRSA-N
XLogP0.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.13
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Butanediol
CID 262
1-Methoxy-2-propanol
CID 7900
Isopropylethanediol
CID 7996
1-tert-Butoxy-2-propanol
CID 92629
Glycol monopropyl ether
CID 17756
Dipropylene glycol n-butyl ether
CID 24752
Meso-2,3-Butanediol
CID 220010
Dipropylene glycol monomethyl ether
CID 25484
2-Methoxy-1-propanol
CID 14846
1-Propoxy-2-propanol
CID 15286
n-Butoxy-2-propanol
CID 21210
(2R,3R)-Butanediol
CID 225936

Frequently Asked Questions

What is the IUPAC name of 1-(deuteriomethoxy)propan-2-ol?
The IUPAC name of 1-(deuteriomethoxy)propan-2-ol (CID 59895561) is 1-(deuteriomethoxy)propan-2-ol.
What is the SMILES notation for 1-(deuteriomethoxy)propan-2-ol?
The canonical SMILES for 1-(deuteriomethoxy)propan-2-ol is [2H]COCC(C)O.
What is the InChIKey of 1-(deuteriomethoxy)propan-2-ol?
The InChIKey is ARXJGSRGQADJSQ-VMNATFBRSA-N. The full InChI is InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/i2D.
What are the key properties of 1-(deuteriomethoxy)propan-2-ol?
1-(deuteriomethoxy)propan-2-ol has a molecular weight of 91.13 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(deuteriomethoxy)propan-2-ol is sourced from PubChem (CID 59895561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).