CID 101123229

C7H9O3 — CID 101123229

IUPAC—
SMILESCC1=C=C([O])OC(C)(C)O1
InChIInChI=1S/C7H9O3/c1-5-4-6(8)10-7(2,3)9-5/h1-3H3
InChIKeyZEMPCRAFYHMFSU-UHFFFAOYSA-N
MW141.15 g/mol
LogP1.54
Rot. Bonds

About CID 101123229

CID 101123229 (PubChem CID 101123229) has the molecular formula C7H9O3 and a molecular weight of 141.15 g/mol.

Molecular Properties

Compound NameCID 101123229
PubChem CID101123229
Molecular FormulaC7H9O3
Molecular Weight141.15 g/mol
Exact Mass141.06
IUPAC Name—
SMILESCC1=C=C([O])OC(C)(C)O1
InChIInChI=1S/C7H9O3/c1-5-4-6(8)10-7(2,3)9-5/h1-3H3
InChIKeyZEMPCRAFYHMFSU-UHFFFAOYSA-N
XLogP1.54
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6-trimethyl-5-(trifluoromethyl)-1,3-dioxin-4-one
CID 15001690
2,2,5,6-tetramethyl-1,3-dioxin-4-one
CID 537695
ethane;propane;2,2,5,5-tetramethyl-1,3-dioxane-4,6-dione
CID 142877166
2,2-dimethyl-(514C)1,3-dioxane-4,6-dione
CID 11367066
2,2,5-trimethyl-1,3-dioxole-4-carbaldehyde
CID 141163709
2,2-dimethyl-5-sulfanylidene-1,3-dioxane-4,6-dione
CID 101415621
5-fluoro-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10997358
2,2,5-trimethyl-4,6-dioxo-1,3-dioxane-5-carbaldehyde
CID 166696428
2,5,5-trimethyl-1,3-oxazol-3-ium-4-one
CID 23262891
5-(hydroxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11137577
5-(2-chlorophenyl)-2,2,6-trimethyl-1,3-dioxin-4-one
CID 19918951
2,2,3,3,5,6-hexamethyl-1,4-dioxine
CID 122631119

Frequently Asked Questions

What is the IUPAC name of CID 101123229?
The IUPAC name of CID 101123229 (CID 101123229) is not available.
What is the SMILES notation for CID 101123229?
The canonical SMILES for CID 101123229 is CC1=C=C([O])OC(C)(C)O1.
What is the InChIKey of CID 101123229?
The InChIKey is ZEMPCRAFYHMFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O3/c1-5-4-6(8)10-7(2,3)9-5/h1-3H3.
What are the key properties of CID 101123229?
CID 101123229 has a molecular weight of 141.15 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101123229 is sourced from PubChem (CID 101123229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).