1-ethoxypentan-2-yl hydrogen carbonate

C8H16O4 — CID 139923305

IUPAC1-ethoxypentan-2-yl hydrogen carbonate
SMILESCCCC(COCC)OC(=O)O
InChIInChI=1S/C8H16O4/c1-3-5-7(6-11-4-2)12-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyWODYPSBVYPQXSM-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.89
Rot. Bonds6

About 1-ethoxypentan-2-yl hydrogen carbonate

1-ethoxypentan-2-yl hydrogen carbonate (PubChem CID 139923305) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-ethoxypentan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name1-ethoxypentan-2-yl hydrogen carbonate
PubChem CID139923305
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-ethoxypentan-2-yl hydrogen carbonate
SMILESCCCC(COCC)OC(=O)O
InChIInChI=1S/C8H16O4/c1-3-5-7(6-11-4-2)12-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyWODYPSBVYPQXSM-UHFFFAOYSA-N
XLogP1.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxyhexan-2-yl hydrogen carbonate
CID 139923308
1-ethoxydecan-2-yl hydrogen carbonate
CID 139923221
nonadecan-4-yl hydrogen carbonate
CID 87300318
1-(2-ethoxybutoxy)hexan-2-yl hydrogen carbonate
CID 87842945
icosan-10-yl hydrogen carbonate
CID 151448549
hexacosan-8-yl hydrogen carbonate
CID 87300461
heptadecan-9-yl hydrogen carbonate
CID 18183422
heptacosan-14-yl hydrogen carbonate
CID 87148310
tricosan-7-yl hydrogen carbonate
CID 87300503
8-carboxyoxyundecanoic acid
CID 11053939
henicosan-3-yl hydrogen carbonate
CID 87300438
2-ethoxypentyl hydrogen carbonate
CID 139923190

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypentan-2-yl hydrogen carbonate?
The IUPAC name of 1-ethoxypentan-2-yl hydrogen carbonate (CID 139923305) is 1-ethoxypentan-2-yl hydrogen carbonate.
What is the SMILES notation for 1-ethoxypentan-2-yl hydrogen carbonate?
The canonical SMILES for 1-ethoxypentan-2-yl hydrogen carbonate is CCCC(COCC)OC(=O)O.
What is the InChIKey of 1-ethoxypentan-2-yl hydrogen carbonate?
The InChIKey is WODYPSBVYPQXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-5-7(6-11-4-2)12-8(9)10/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 1-ethoxypentan-2-yl hydrogen carbonate?
1-ethoxypentan-2-yl hydrogen carbonate has a molecular weight of 176.21 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypentan-2-yl hydrogen carbonate is sourced from PubChem (CID 139923305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).