1,2-dimethoxyethane;propan-2-yl hydrogen carbonate

C8H18O5 — CID 175458709

IUPAC1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
SMILESCC(C)OC(=O)O.COCCOC
InChIInChI=1S/C4H8O3.C4H10O2/c1-3(2)7-4(5)6;1-5-3-4-6-2/h3H,1-2H3,(H,5,6);3-4H2,1-2H3
InChIKeyVWHRDDMBMVPMGE-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.37
Rot. Bonds4

About 1,2-dimethoxyethane;propan-2-yl hydrogen carbonate

1,2-dimethoxyethane;propan-2-yl hydrogen carbonate (PubChem CID 175458709) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1,2-dimethoxyethane;propan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
PubChem CID175458709
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
SMILESCC(C)OC(=O)O.COCCOC
InChIInChI=1S/C4H8O3.C4H10O2/c1-3(2)7-4(5)6;1-5-3-4-6-2/h3H,1-2H3,(H,5,6);3-4H2,1-2H3
InChIKeyVWHRDDMBMVPMGE-UHFFFAOYSA-N
XLogP1.37
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,2-dimethoxyethane;propan-2-yl hydrogen carbonate 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

carbonic acid;ethene;propan-2-yl hydrogen carbonate
CID 175300658
propan-2-amine;propan-2-yl hydrogen carbonate
CID 173023636
dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate
CID 116500640
dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate
CID 103972664
4-carboxyoxypentan-2-yl hydrogen carbonate
CID 87735224
carbonic acid;3-chloro-1-methoxybutane
CID 86749865
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
2-methoxyethanol;methyl hydrogen carbonate
CID 160714037
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
methane;methoxymethyl propan-2-yl carbonate
CID 158647197
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
2,6-dimethylheptan-4-yl hydrogen carbonate
CID 154411359

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;propan-2-yl hydrogen carbonate?
The IUPAC name of 1,2-dimethoxyethane;propan-2-yl hydrogen carbonate (CID 175458709) is 1,2-dimethoxyethane;propan-2-yl hydrogen carbonate.
What is the SMILES notation for 1,2-dimethoxyethane;propan-2-yl hydrogen carbonate?
The canonical SMILES for 1,2-dimethoxyethane;propan-2-yl hydrogen carbonate is CC(C)OC(=O)O.COCCOC.
What is the InChIKey of 1,2-dimethoxyethane;propan-2-yl hydrogen carbonate?
The InChIKey is VWHRDDMBMVPMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C4H10O2/c1-3(2)7-4(5)6;1-5-3-4-6-2/h3H,1-2H3,(H,5,6);3-4H2,1-2H3.
What are the key properties of 1,2-dimethoxyethane;propan-2-yl hydrogen carbonate?
1,2-dimethoxyethane;propan-2-yl hydrogen carbonate has a molecular weight of 194.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;propan-2-yl hydrogen carbonate is sourced from PubChem (CID 175458709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).