CID 123158721

C19H22O6 — CID 123158721

IUPAC—
SMILESCC1CC2(COC2)COC(=O)c2ccccc2C(=O)OCC12COC2
InChIInChI=1S/C19H22O6/c1-13-6-18(7-22-8-18)9-24-16(20)14-4-2-3-5-15(14)17(21)25-12-19(13)10-23-11-19/h2-5,13H,6-12H2,1H3
InChIKeyMKZYGEXTBFKKML-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.07
Rot. Bonds

About CID 123158721

CID 123158721 (PubChem CID 123158721) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol.

Molecular Properties

Compound NameCID 123158721
PubChem CID123158721
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name—
SMILESCC1CC2(COC2)COC(=O)c2ccccc2C(=O)OCC12COC2
InChIInChI=1S/C19H22O6/c1-13-6-18(7-22-8-18)9-24-16(20)14-4-2-3-5-15(14)17(21)25-12-19(13)10-23-11-19/h2-5,13H,6-12H2,1H3
InChIKeyMKZYGEXTBFKKML-UHFFFAOYSA-N
XLogP2.07
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 123158721?
The IUPAC name of CID 123158721 (CID 123158721) is not available.
What is the SMILES notation for CID 123158721?
The canonical SMILES for CID 123158721 is CC1CC2(COC2)COC(=O)c2ccccc2C(=O)OCC12COC2.
What is the InChIKey of CID 123158721?
The InChIKey is MKZYGEXTBFKKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-13-6-18(7-22-8-18)9-24-16(20)14-4-2-3-5-15(14)17(21)25-12-19(13)10-23-11-19/h2-5,13H,6-12H2,1H3.
What are the key properties of CID 123158721?
CID 123158721 has a molecular weight of 346.38 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123158721 is sourced from PubChem (CID 123158721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).