1-ethoxyhexan-2-yl hydrogen carbonate

C9H18O4 — CID 139923308

IUPAC1-ethoxyhexan-2-yl hydrogen carbonate
SMILESCCCCC(COCC)OC(=O)O
InChIInChI=1S/C9H18O4/c1-3-5-6-8(7-12-4-2)13-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyWZLPAHWJFJOJOS-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.28
Rot. Bonds7

About 1-ethoxyhexan-2-yl hydrogen carbonate

1-ethoxyhexan-2-yl hydrogen carbonate (PubChem CID 139923308) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-ethoxyhexan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name1-ethoxyhexan-2-yl hydrogen carbonate
PubChem CID139923308
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1-ethoxyhexan-2-yl hydrogen carbonate
SMILESCCCCC(COCC)OC(=O)O
InChIInChI=1S/C9H18O4/c1-3-5-6-8(7-12-4-2)13-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyWZLPAHWJFJOJOS-UHFFFAOYSA-N
XLogP2.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxydecan-2-yl hydrogen carbonate
CID 139923221
1-ethoxypentan-2-yl hydrogen carbonate
CID 139923305
1-(2-ethoxybutoxy)hexan-2-yl hydrogen carbonate
CID 87842945
icosan-10-yl hydrogen carbonate
CID 151448549
heptadecan-9-yl hydrogen carbonate
CID 18183422
heptacosan-14-yl hydrogen carbonate
CID 87148310
hexacosan-8-yl hydrogen carbonate
CID 87300461
tricosan-7-yl hydrogen carbonate
CID 87300503
henicosan-3-yl hydrogen carbonate
CID 87300438
nonadecan-4-yl hydrogen carbonate
CID 87300318
1-hydroxypentadecan-3-yl hydrogen carbonate
CID 118165795
24-bromotetracosan-9-yl hydrogen carbonate
CID 172800180

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyhexan-2-yl hydrogen carbonate?
The IUPAC name of 1-ethoxyhexan-2-yl hydrogen carbonate (CID 139923308) is 1-ethoxyhexan-2-yl hydrogen carbonate.
What is the SMILES notation for 1-ethoxyhexan-2-yl hydrogen carbonate?
The canonical SMILES for 1-ethoxyhexan-2-yl hydrogen carbonate is CCCCC(COCC)OC(=O)O.
What is the InChIKey of 1-ethoxyhexan-2-yl hydrogen carbonate?
The InChIKey is WZLPAHWJFJOJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-5-6-8(7-12-4-2)13-9(10)11/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of 1-ethoxyhexan-2-yl hydrogen carbonate?
1-ethoxyhexan-2-yl hydrogen carbonate has a molecular weight of 190.24 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyhexan-2-yl hydrogen carbonate is sourced from PubChem (CID 139923308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).