(3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate

C7H10O4 — CID 88661845

IUPAC(3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate
SMILESCC1(C)C(C=O)C1OC(=O)O
InChIInChI=1S/C7H10O4/c1-7(2)4(3-8)5(7)11-6(9)10/h3-5H,1-2H3,(H,9,10)
InChIKeyGVLWGNQMDHMYEI-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.90
Rot. Bonds2

About (3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate

(3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate (PubChem CID 88661845) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate.

Molecular Properties

Compound Name(3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate
PubChem CID88661845
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate
SMILESCC1(C)C(C=O)C1OC(=O)O
InChIInChI=1S/C7H10O4/c1-7(2)4(3-8)5(7)11-6(9)10/h3-5H,1-2H3,(H,9,10)
InChIKeyGVLWGNQMDHMYEI-UHFFFAOYSA-N
XLogP0.90
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate?
The IUPAC name of (3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate (CID 88661845) is (3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate.
What is the SMILES notation for (3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate?
The canonical SMILES for (3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate is CC1(C)C(C=O)C1OC(=O)O.
What is the InChIKey of (3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate?
The InChIKey is GVLWGNQMDHMYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-7(2)4(3-8)5(7)11-6(9)10/h3-5H,1-2H3,(H,9,10).
What are the key properties of (3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate?
(3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate has a molecular weight of 158.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyl-2,2-dimethylcyclopropyl) hydrogen carbonate is sourced from PubChem (CID 88661845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).