CID 10781252

C16H22O6 — CID 10781252

IUPAC—
SMILESCOC(=O)[C@H]1CC[C@H]2[C@@H](C1)O[C@@]1(CC(=O)[C@H](C)CO1)[C@]21CO1
InChIInChI=1S/C16H22O6/c1-9-7-20-16(6-12(9)17)15(8-21-15)11-4-3-10(14(18)19-2)5-13(11)22-16/h9-11,13H,3-8H2,1-2H3/t9-,10+,11+,13-,15+,16+/m1/s1
InChIKeyHCMTVEWAKDHJLX-HZFALFLZSA-N
MW310.35 g/mol
LogP1.07
Rot. Bonds1

About CID 10781252

CID 10781252 (PubChem CID 10781252) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol.

Molecular Properties

Compound NameCID 10781252
PubChem CID10781252
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name—
SMILESCOC(=O)[C@H]1CC[C@H]2[C@@H](C1)O[C@@]1(CC(=O)[C@H](C)CO1)[C@]21CO1
InChIInChI=1S/C16H22O6/c1-9-7-20-16(6-12(9)17)15(8-21-15)11-4-3-10(14(18)19-2)5-13(11)22-16/h9-11,13H,3-8H2,1-2H3/t9-,10+,11+,13-,15+,16+/m1/s1
InChIKeyHCMTVEWAKDHJLX-HZFALFLZSA-N
XLogP1.07
TPSA74.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10781252?
The IUPAC name of CID 10781252 (CID 10781252) is not available.
What is the SMILES notation for CID 10781252?
The canonical SMILES for CID 10781252 is COC(=O)[C@H]1CC[C@H]2[C@@H](C1)O[C@@]1(CC(=O)[C@H](C)CO1)[C@]21CO1.
What is the InChIKey of CID 10781252?
The InChIKey is HCMTVEWAKDHJLX-HZFALFLZSA-N. The full InChI is InChI=1S/C16H22O6/c1-9-7-20-16(6-12(9)17)15(8-21-15)11-4-3-10(14(18)19-2)5-13(11)22-16/h9-11,13H,3-8H2,1-2H3/t9-,10+,11+,13-,15+,16+/m1/s1.
What are the key properties of CID 10781252?
CID 10781252 has a molecular weight of 310.35 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10781252 is sourced from PubChem (CID 10781252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).