CID 10661453

C16H22O5 — CID 10661453

IUPAC—
SMILESO=C1CC2C[C@@H]3C[C@@H](CC(C1)C31OCCO1)C21OCCO1
InChIInChI=1S/C16H22O5/c17-14-8-12-7-11-5-10(15(12)18-1-2-19-15)6-13(9-14)16(11)20-3-4-21-16/h10-13H,1-9H2/t10-,11-,12?,13?/m0/s1
InChIKeyKTXPTFLQNCGUSS-ZSVAQUKISA-N
MW294.35 g/mol
LogP1.50
Rot. Bonds

About CID 10661453

CID 10661453 (PubChem CID 10661453) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol.

Molecular Properties

Compound NameCID 10661453
PubChem CID10661453
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name—
SMILESO=C1CC2C[C@@H]3C[C@@H](CC(C1)C31OCCO1)C21OCCO1
InChIInChI=1S/C16H22O5/c17-14-8-12-7-11-5-10(15(12)18-1-2-19-15)6-13(9-14)16(11)20-3-4-21-16/h10-13H,1-9H2/t10-,11-,12?,13?/m0/s1
InChIKeyKTXPTFLQNCGUSS-ZSVAQUKISA-N
XLogP1.50
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 10661453?
The IUPAC name of CID 10661453 (CID 10661453) is not available.
What is the SMILES notation for CID 10661453?
The canonical SMILES for CID 10661453 is O=C1CC2C[C@@H]3C[C@@H](CC(C1)C31OCCO1)C21OCCO1.
What is the InChIKey of CID 10661453?
The InChIKey is KTXPTFLQNCGUSS-ZSVAQUKISA-N. The full InChI is InChI=1S/C16H22O5/c17-14-8-12-7-11-5-10(15(12)18-1-2-19-15)6-13(9-14)16(11)20-3-4-21-16/h10-13H,1-9H2/t10-,11-,12?,13?/m0/s1.
What are the key properties of CID 10661453?
CID 10661453 has a molecular weight of 294.35 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10661453 is sourced from PubChem (CID 10661453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).