CID 134998622

C21H30O6 — CID 134998622

IUPAC—
SMILESC1=COC2(C1)OC([C@@H]1COC3(CCCCC3)O1)C1OC3(CCCCC3)OC12
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?/m0/s1
InChIKeyFYADNRYUFQZGBD-SIHNGCNOSA-N
MW378.47 g/mol
LogP3.54
Rot. Bonds1

About CID 134998622

CID 134998622 (PubChem CID 134998622) has the molecular formula C21H30O6 and a molecular weight of 378.47 g/mol.

Molecular Properties

Compound NameCID 134998622
PubChem CID134998622
Molecular FormulaC21H30O6
Molecular Weight378.47 g/mol
Exact Mass378.20
IUPAC Name—
SMILESC1=COC2(C1)OC([C@@H]1COC3(CCCCC3)O1)C1OC3(CCCCC3)OC12
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?/m0/s1
InChIKeyFYADNRYUFQZGBD-SIHNGCNOSA-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 134998622?
The IUPAC name of CID 134998622 (CID 134998622) is not available.
What is the SMILES notation for CID 134998622?
The canonical SMILES for CID 134998622 is C1=COC2(C1)OC([C@@H]1COC3(CCCCC3)O1)C1OC3(CCCCC3)OC12.
What is the InChIKey of CID 134998622?
The InChIKey is FYADNRYUFQZGBD-SIHNGCNOSA-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?/m0/s1.
What are the key properties of CID 134998622?
CID 134998622 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 134998622 is sourced from PubChem (CID 134998622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).