CID 10864397

C12H19O4 — CID 10864397

IUPAC—
SMILES[CH2][C]1[CH][C@@H]([C@H](CCCC)OCOC)OC1=O
InChIInChI=1S/C12H19O4/c1-4-5-6-10(15-8-14-3)11-7-9(2)12(13)16-11/h7,10-11H,2,4-6,8H2,1,3H3/t10-,11-/m0/s1
InChIKeyOSADBINICKQBLT-QWRGUYRKSA-N
MW227.28 g/mol
LogP1.70
Rot. Bonds7

About CID 10864397

CID 10864397 (PubChem CID 10864397) has the molecular formula C12H19O4 and a molecular weight of 227.28 g/mol.

Molecular Properties

Compound NameCID 10864397
PubChem CID10864397
Molecular FormulaC12H19O4
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name—
SMILES[CH2][C]1[CH][C@@H]([C@H](CCCC)OCOC)OC1=O
InChIInChI=1S/C12H19O4/c1-4-5-6-10(15-8-14-3)11-7-9(2)12(13)16-11/h7,10-11H,2,4-6,8H2,1,3H3/t10-,11-/m0/s1
InChIKeyOSADBINICKQBLT-QWRGUYRKSA-N
XLogP1.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10864397?
The IUPAC name of CID 10864397 (CID 10864397) is not available.
What is the SMILES notation for CID 10864397?
The canonical SMILES for CID 10864397 is [CH2][C]1[CH][C@@H]([C@H](CCCC)OCOC)OC1=O.
What is the InChIKey of CID 10864397?
The InChIKey is OSADBINICKQBLT-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H19O4/c1-4-5-6-10(15-8-14-3)11-7-9(2)12(13)16-11/h7,10-11H,2,4-6,8H2,1,3H3/t10-,11-/m0/s1.
What are the key properties of CID 10864397?
CID 10864397 has a molecular weight of 227.28 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10864397 is sourced from PubChem (CID 10864397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).