(2-cyclohexyl-2-oxoethyl) hydrogen carbonate

C9H14O4 — CID 18683514

IUPAC(2-cyclohexyl-2-oxoethyl) hydrogen carbonate
SMILESO=C(O)OCC(=O)C1CCCCC1
InChIInChI=1S/C9H14O4/c10-8(6-13-9(11)12)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12)
InChIKeyPIEBXEHUJVFSFQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.83
Rot. Bonds3

About (2-cyclohexyl-2-oxoethyl) hydrogen carbonate

(2-cyclohexyl-2-oxoethyl) hydrogen carbonate (PubChem CID 18683514) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2-cyclohexyl-2-oxoethyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-cyclohexyl-2-oxoethyl) hydrogen carbonate
PubChem CID18683514
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(2-cyclohexyl-2-oxoethyl) hydrogen carbonate
SMILESO=C(O)OCC(=O)C1CCCCC1
InChIInChI=1S/C9H14O4/c10-8(6-13-9(11)12)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12)
InChIKeyPIEBXEHUJVFSFQ-UHFFFAOYSA-N
XLogP1.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-2-oxoethyl) hydrogen carbonate?
The IUPAC name of (2-cyclohexyl-2-oxoethyl) hydrogen carbonate (CID 18683514) is (2-cyclohexyl-2-oxoethyl) hydrogen carbonate.
What is the SMILES notation for (2-cyclohexyl-2-oxoethyl) hydrogen carbonate?
The canonical SMILES for (2-cyclohexyl-2-oxoethyl) hydrogen carbonate is O=C(O)OCC(=O)C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-2-oxoethyl) hydrogen carbonate?
The InChIKey is PIEBXEHUJVFSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c10-8(6-13-9(11)12)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12).
What are the key properties of (2-cyclohexyl-2-oxoethyl) hydrogen carbonate?
(2-cyclohexyl-2-oxoethyl) hydrogen carbonate has a molecular weight of 186.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-2-oxoethyl) hydrogen carbonate is sourced from PubChem (CID 18683514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).