carbonic acid;ethene;propan-2-yl hydrogen carbonate

C7H14O6 — CID 175300658

IUPACcarbonic acid;ethene;propan-2-yl hydrogen carbonate
SMILESC=C.CC(C)OC(=O)O.O=C(O)O
InChIInChI=1S/C4H8O3.C2H4.CH2O3/c1-3(2)7-4(5)6;1-2;2-1(3)4/h3H,1-2H3,(H,5,6);1-2H2;(H2,2,3,4)
InChIKeyIIVYRHVDXIQIOJ-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.11
Rot. Bonds1

About carbonic acid;ethene;propan-2-yl hydrogen carbonate

carbonic acid;ethene;propan-2-yl hydrogen carbonate (PubChem CID 175300658) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is carbonic acid;ethene;propan-2-yl hydrogen carbonate.

Molecular Properties

Compound Namecarbonic acid;ethene;propan-2-yl hydrogen carbonate
PubChem CID175300658
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Namecarbonic acid;ethene;propan-2-yl hydrogen carbonate
SMILESC=C.CC(C)OC(=O)O.O=C(O)O
InChIInChI=1S/C4H8O3.C2H4.CH2O3/c1-3(2)7-4(5)6;1-2;2-1(3)4/h3H,1-2H3,(H,5,6);1-2H2;(H2,2,3,4)
InChIKeyIIVYRHVDXIQIOJ-UHFFFAOYSA-N
XLogP2.11
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-amine;propan-2-yl hydrogen carbonate
CID 173023636
azane;carbonic acid;ethene;propan-2-yl hydrogen carbonate;pyridine
CID 175194025
1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
CID 175458709
diazanium;ethene;bis(propan-2-yl carbonate)
CID 158304225
carbonic acid;2-propan-2-ylperoxypropane
CID 87099800
carbonic acid;2-propan-2-yloxypropane
CID 158018053
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
4-carboxyoxypentan-2-yl hydrogen carbonate
CID 87735224
propan-2-yl 2-methylprop-2-enoate
CID 146421311
(1-hydroxy-2-methylpropyl) hydrogen carbonate
CID 141230497
carbonic acid;2-methylpropane
CID 87262286
carbonic acid;ethene
CID 18430440

Frequently Asked Questions

What is the IUPAC name of carbonic acid;ethene;propan-2-yl hydrogen carbonate?
The IUPAC name of carbonic acid;ethene;propan-2-yl hydrogen carbonate (CID 175300658) is carbonic acid;ethene;propan-2-yl hydrogen carbonate.
What is the SMILES notation for carbonic acid;ethene;propan-2-yl hydrogen carbonate?
The canonical SMILES for carbonic acid;ethene;propan-2-yl hydrogen carbonate is C=C.CC(C)OC(=O)O.O=C(O)O.
What is the InChIKey of carbonic acid;ethene;propan-2-yl hydrogen carbonate?
The InChIKey is IIVYRHVDXIQIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C2H4.CH2O3/c1-3(2)7-4(5)6;1-2;2-1(3)4/h3H,1-2H3,(H,5,6);1-2H2;(H2,2,3,4).
What are the key properties of carbonic acid;ethene;propan-2-yl hydrogen carbonate?
carbonic acid;ethene;propan-2-yl hydrogen carbonate has a molecular weight of 194.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;ethene;propan-2-yl hydrogen carbonate is sourced from PubChem (CID 175300658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).