CID 140672703

C7H11O4 — CID 140672703

IUPAC—
SMILESCC1OC(C)(C)OC1C([O])=O
InChIInChI=1S/C7H11O4/c1-4-5(6(8)9)11-7(2,3)10-4/h4-5H,1-3H3
InChIKeyLVXVNYGEITZZOD-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.48
Rot. Bonds1

About CID 140672703

CID 140672703 (PubChem CID 140672703) has the molecular formula C7H11O4 and a molecular weight of 159.16 g/mol.

Molecular Properties

Compound NameCID 140672703
PubChem CID140672703
Molecular FormulaC7H11O4
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name—
SMILESCC1OC(C)(C)OC1C([O])=O
InChIInChI=1S/C7H11O4/c1-4-5(6(8)9)11-7(2,3)10-4/h4-5H,1-3H3
InChIKeyLVXVNYGEITZZOD-UHFFFAOYSA-N
XLogP0.48
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 140672703?
The IUPAC name of CID 140672703 (CID 140672703) is not available.
What is the SMILES notation for CID 140672703?
The canonical SMILES for CID 140672703 is CC1OC(C)(C)OC1C([O])=O.
What is the InChIKey of CID 140672703?
The InChIKey is LVXVNYGEITZZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O4/c1-4-5(6(8)9)11-7(2,3)10-4/h4-5H,1-3H3.
What are the key properties of CID 140672703?
CID 140672703 has a molecular weight of 159.16 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140672703 is sourced from PubChem (CID 140672703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).