CID 22827171

C16H24O6 — CID 22827171

IUPAC—
SMILESOC[C@@]12O[C@H]3COC4(CCCC4)O[C@H]3[C@@H]1OC1(CCCC1)O2
InChIInChI=1S/C16H24O6/c17-10-16-13(21-15(22-16)7-3-4-8-15)12-11(19-16)9-18-14(20-12)5-1-2-6-14/h11-13,17H,1-10H2/t11-,12+,13-,16-/m0/s1
InChIKeyMIXPRKGBWRGHAS-ZWUHOBOKSA-N
MW312.36 g/mol
LogP1.45
Rot. Bonds1

About CID 22827171

CID 22827171 (PubChem CID 22827171) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol.

Molecular Properties

Compound NameCID 22827171
PubChem CID22827171
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name—
SMILESOC[C@@]12O[C@H]3COC4(CCCC4)O[C@H]3[C@@H]1OC1(CCCC1)O2
InChIInChI=1S/C16H24O6/c17-10-16-13(21-15(22-16)7-3-4-8-15)12-11(19-16)9-18-14(20-12)5-1-2-6-14/h11-13,17H,1-10H2/t11-,12+,13-,16-/m0/s1
InChIKeyMIXPRKGBWRGHAS-ZWUHOBOKSA-N
XLogP1.45
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 22827171?
The IUPAC name of CID 22827171 (CID 22827171) is not available.
What is the SMILES notation for CID 22827171?
The canonical SMILES for CID 22827171 is OC[C@@]12O[C@H]3COC4(CCCC4)O[C@H]3[C@@H]1OC1(CCCC1)O2.
What is the InChIKey of CID 22827171?
The InChIKey is MIXPRKGBWRGHAS-ZWUHOBOKSA-N. The full InChI is InChI=1S/C16H24O6/c17-10-16-13(21-15(22-16)7-3-4-8-15)12-11(19-16)9-18-14(20-12)5-1-2-6-14/h11-13,17H,1-10H2/t11-,12+,13-,16-/m0/s1.
What are the key properties of CID 22827171?
CID 22827171 has a molecular weight of 312.36 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22827171 is sourced from PubChem (CID 22827171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).