[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate

C7H13ClO5 — CID 141068739

IUPAC[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate
SMILESCOCCOC(CCl)COC(=O)O
InChIInChI=1S/C7H13ClO5/c1-11-2-3-12-6(4-8)5-13-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyVPVAQBNDBGXUSV-UHFFFAOYSA-N
MW212.63 g/mol
LogP0.95
Rot. Bonds7

About [3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate

[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate (PubChem CID 141068739) has the molecular formula C7H13ClO5 and a molecular weight of 212.63 g/mol. Its IUPAC name is [3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate.

Molecular Properties

Compound Name[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate
PubChem CID141068739
Molecular FormulaC7H13ClO5
Molecular Weight212.63 g/mol
Exact Mass212.05
IUPAC Name[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate
SMILESCOCCOC(CCl)COC(=O)O
InChIInChI=1S/C7H13ClO5/c1-11-2-3-12-6(4-8)5-13-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyVPVAQBNDBGXUSV-UHFFFAOYSA-N
XLogP0.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-methoxy-2-(2-methoxyethoxy)butyl] hydrogen carbonate
CID 87840874
[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923215
[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923284
[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate
CID 139923197
(1-carboxyoxy-3-methoxypropan-2-yl) carbonate
CID 19927087
1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol
CID 71441962
2-(2-ethoxyethoxy)heptyl hydrogen carbonate
CID 139923312
(1-chloro-3-methoxycarbonyloxypropan-2-yl) methyl carbonate
CID 139688536
[4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate
CID 139923093
3,5-bis(2-methoxyethoxy)hexanamide
CID 177091075
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
2-ethoxypentyl hydrogen carbonate
CID 139923190

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate?
The IUPAC name of [3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate (CID 141068739) is [3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate.
What is the SMILES notation for [3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate?
The canonical SMILES for [3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate is COCCOC(CCl)COC(=O)O.
What is the InChIKey of [3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate?
The InChIKey is VPVAQBNDBGXUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO5/c1-11-2-3-12-6(4-8)5-13-7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of [3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate?
[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate has a molecular weight of 212.63 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate is sourced from PubChem (CID 141068739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).