CID 44550197

C21H30O6 — CID 44550197

IUPAC—
SMILESC1=CO[C@@]2(C1)O[C@H]([C@H]1COC3(CCCCC3)O1)[C@@H]1OC3(CCCCC3)O[C@@H]12
InChIInChI=1S/C21H30O6/c1-3-8-19(9-4-1)23-14-15(24-19)16-17-18(21(26-16)12-7-13-22-21)27-20(25-17)10-5-2-6-11-20/h7,13,15-18H,1-6,8-12,14H2/t15-,16-,17+,18+,21+/m1/s1
InChIKeyFYADNRYUFQZGBD-QKIGPUQLSA-N
MW378.47 g/mol
LogP3.54
Rot. Bonds1

About CID 44550197

CID 44550197 (PubChem CID 44550197) has the molecular formula C21H30O6 and a molecular weight of 378.47 g/mol.

Molecular Properties

Compound NameCID 44550197
PubChem CID44550197
Molecular FormulaC21H30O6
Molecular Weight378.47 g/mol
Exact Mass378.20
IUPAC Name—
SMILESC1=CO[C@@]2(C1)O[C@H]([C@H]1COC3(CCCCC3)O1)[C@@H]1OC3(CCCCC3)O[C@@H]12
InChIInChI=1S/C21H30O6/c1-3-8-19(9-4-1)23-14-15(24-19)16-17-18(21(26-16)12-7-13-22-21)27-20(25-17)10-5-2-6-11-20/h7,13,15-18H,1-6,8-12,14H2/t15-,16-,17+,18+,21+/m1/s1
InChIKeyFYADNRYUFQZGBD-QKIGPUQLSA-N
XLogP3.54
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 44550197?
The IUPAC name of CID 44550197 (CID 44550197) is not available.
What is the SMILES notation for CID 44550197?
The canonical SMILES for CID 44550197 is C1=CO[C@@]2(C1)O[C@H]([C@H]1COC3(CCCCC3)O1)[C@@H]1OC3(CCCCC3)O[C@@H]12.
What is the InChIKey of CID 44550197?
The InChIKey is FYADNRYUFQZGBD-QKIGPUQLSA-N. The full InChI is InChI=1S/C21H30O6/c1-3-8-19(9-4-1)23-14-15(24-19)16-17-18(21(26-16)12-7-13-22-21)27-20(25-17)10-5-2-6-11-20/h7,13,15-18H,1-6,8-12,14H2/t15-,16-,17+,18+,21+/m1/s1.
What are the key properties of CID 44550197?
CID 44550197 has a molecular weight of 378.47 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44550197 is sourced from PubChem (CID 44550197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).