(2-hydroxycyclopenten-1-yl) hydrogen carbonate

C6H8O4 — CID 70351333

IUPAC(2-hydroxycyclopenten-1-yl) hydrogen carbonate
SMILESO=C(O)OC1=C(O)CCC1
InChIInChI=1S/C6H8O4/c7-4-2-1-3-5(4)10-6(8)9/h7H,1-3H2,(H,8,9)
InChIKeySCBGCMKINXWOBB-UHFFFAOYSA-N
MW144.13 g/mol
LogP1.63
Rot. Bonds1

About (2-hydroxycyclopenten-1-yl) hydrogen carbonate

(2-hydroxycyclopenten-1-yl) hydrogen carbonate (PubChem CID 70351333) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (2-hydroxycyclopenten-1-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-hydroxycyclopenten-1-yl) hydrogen carbonate
PubChem CID70351333
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(2-hydroxycyclopenten-1-yl) hydrogen carbonate
SMILESO=C(O)OC1=C(O)CCC1
InChIInChI=1S/C6H8O4/c7-4-2-1-3-5(4)10-6(8)9/h7H,1-3H2,(H,8,9)
InChIKeySCBGCMKINXWOBB-UHFFFAOYSA-N
XLogP1.63
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclopenten-1-yl) hydrogen carbonate?
The IUPAC name of (2-hydroxycyclopenten-1-yl) hydrogen carbonate (CID 70351333) is (2-hydroxycyclopenten-1-yl) hydrogen carbonate.
What is the SMILES notation for (2-hydroxycyclopenten-1-yl) hydrogen carbonate?
The canonical SMILES for (2-hydroxycyclopenten-1-yl) hydrogen carbonate is O=C(O)OC1=C(O)CCC1.
What is the InChIKey of (2-hydroxycyclopenten-1-yl) hydrogen carbonate?
The InChIKey is SCBGCMKINXWOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c7-4-2-1-3-5(4)10-6(8)9/h7H,1-3H2,(H,8,9).
What are the key properties of (2-hydroxycyclopenten-1-yl) hydrogen carbonate?
(2-hydroxycyclopenten-1-yl) hydrogen carbonate has a molecular weight of 144.13 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclopenten-1-yl) hydrogen carbonate is sourced from PubChem (CID 70351333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).