CID 100978217

C8H11O3 — CID 100978217

IUPAC—
SMILESCOC(=O)C1=C([O])CCCC1
InChIInChI=1S/C8H11O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H2,1H3
InChIKeyXRZVLSNEECSHCC-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.42
Rot. Bonds1

About CID 100978217

CID 100978217 (PubChem CID 100978217) has the molecular formula C8H11O3 and a molecular weight of 155.17 g/mol.

Molecular Properties

Compound NameCID 100978217
PubChem CID100978217
Molecular FormulaC8H11O3
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name—
SMILESCOC(=O)C1=C([O])CCCC1
InChIInChI=1S/C8H11O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H2,1H3
InChIKeyXRZVLSNEECSHCC-UHFFFAOYSA-N
XLogP1.42
TPSA46.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 100978217?
The IUPAC name of CID 100978217 (CID 100978217) is not available.
What is the SMILES notation for CID 100978217?
The canonical SMILES for CID 100978217 is COC(=O)C1=C([O])CCCC1.
What is the InChIKey of CID 100978217?
The InChIKey is XRZVLSNEECSHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H2,1H3.
What are the key properties of CID 100978217?
CID 100978217 has a molecular weight of 155.17 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100978217 is sourced from PubChem (CID 100978217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).