CID 10619380

C13H17O5 — CID 10619380

IUPAC—
SMILESCOC[C@@H]1CCO[C@H]([C]2[CH][CH][CH][C]2C(=O)OC)O1
InChIInChI=1S/C13H17O5/c1-15-8-9-6-7-17-13(18-9)11-5-3-4-10(11)12(14)16-2/h3-5,9,13H,6-8H2,1-2H3/t9-,13-/m0/s1
InChIKeyLHZVZHBQAJJXNM-ZANVPECISA-N
MW253.27 g/mol
LogP0.71
Rot. Bonds4

About CID 10619380

CID 10619380 (PubChem CID 10619380) has the molecular formula C13H17O5 and a molecular weight of 253.27 g/mol.

Molecular Properties

Compound NameCID 10619380
PubChem CID10619380
Molecular FormulaC13H17O5
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name—
SMILESCOC[C@@H]1CCO[C@H]([C]2[CH][CH][CH][C]2C(=O)OC)O1
InChIInChI=1S/C13H17O5/c1-15-8-9-6-7-17-13(18-9)11-5-3-4-10(11)12(14)16-2/h3-5,9,13H,6-8H2,1-2H3/t9-,13-/m0/s1
InChIKeyLHZVZHBQAJJXNM-ZANVPECISA-N
XLogP0.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 10619380?
The IUPAC name of CID 10619380 (CID 10619380) is not available.
What is the SMILES notation for CID 10619380?
The canonical SMILES for CID 10619380 is COC[C@@H]1CCO[C@H]([C]2[CH][CH][CH][C]2C(=O)OC)O1.
What is the InChIKey of CID 10619380?
The InChIKey is LHZVZHBQAJJXNM-ZANVPECISA-N. The full InChI is InChI=1S/C13H17O5/c1-15-8-9-6-7-17-13(18-9)11-5-3-4-10(11)12(14)16-2/h3-5,9,13H,6-8H2,1-2H3/t9-,13-/m0/s1.
What are the key properties of CID 10619380?
CID 10619380 has a molecular weight of 253.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10619380 is sourced from PubChem (CID 10619380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).