CID 58067046

C12H18O5 — CID 58067046

IUPAC—
SMILES[CH]CC(=O)[C@H](C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O
InChIInChI=1S/C12H18O5/c1-5-7(13)6(2)9-8(14)10-11(15-9)17-12(3,4)16-10/h1,6,8-11,14H,5H2,2-4H3/t6-,8-,9+,10+,11+/m0/s1
InChIKeyZRTAIZBMYJVJCM-RTCAKPBESA-N
MW242.27 g/mol
LogP0.53
Rot. Bonds3

About CID 58067046

CID 58067046 (PubChem CID 58067046) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol.

Molecular Properties

Compound NameCID 58067046
PubChem CID58067046
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name—
SMILES[CH]CC(=O)[C@H](C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O
InChIInChI=1S/C12H18O5/c1-5-7(13)6(2)9-8(14)10-11(15-9)17-12(3,4)16-10/h1,6,8-11,14H,5H2,2-4H3/t6-,8-,9+,10+,11+/m0/s1
InChIKeyZRTAIZBMYJVJCM-RTCAKPBESA-N
XLogP0.53
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58067046?
The IUPAC name of CID 58067046 (CID 58067046) is not available.
What is the SMILES notation for CID 58067046?
The canonical SMILES for CID 58067046 is [CH]CC(=O)[C@H](C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O.
What is the InChIKey of CID 58067046?
The InChIKey is ZRTAIZBMYJVJCM-RTCAKPBESA-N. The full InChI is InChI=1S/C12H18O5/c1-5-7(13)6(2)9-8(14)10-11(15-9)17-12(3,4)16-10/h1,6,8-11,14H,5H2,2-4H3/t6-,8-,9+,10+,11+/m0/s1.
What are the key properties of CID 58067046?
CID 58067046 has a molecular weight of 242.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58067046 is sourced from PubChem (CID 58067046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).