CID 164702720

C21H33O3 — CID 164702720

IUPAC—
SMILESCCCC1CO[C](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC1
InChIInChI=1S/C21H33O3/c1-8-9-14-12-23-19(24-13-14)15-10-16(20(2,3)4)18(22)17(11-15)21(5,6)7/h10-11,14,22H,8-9,12-13H2,1-7H3
InChIKeyQLGNZFQJEFFGAD-UHFFFAOYSA-N
MW333.49 g/mol
LogP5.29
Rot. Bonds3

About CID 164702720

CID 164702720 (PubChem CID 164702720) has the molecular formula C21H33O3 and a molecular weight of 333.49 g/mol.

Molecular Properties

Compound NameCID 164702720
PubChem CID164702720
Molecular FormulaC21H33O3
Molecular Weight333.49 g/mol
Exact Mass333.24
IUPAC Name—
SMILESCCCC1CO[C](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC1
InChIInChI=1S/C21H33O3/c1-8-9-14-12-23-19(24-13-14)15-10-16(20(2,3)4)18(22)17(11-15)21(5,6)7/h10-11,14,22H,8-9,12-13H2,1-7H3
InChIKeyQLGNZFQJEFFGAD-UHFFFAOYSA-N
XLogP5.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 164702720?
The IUPAC name of CID 164702720 (CID 164702720) is not available.
What is the SMILES notation for CID 164702720?
The canonical SMILES for CID 164702720 is CCCC1CO[C](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC1.
What is the InChIKey of CID 164702720?
The InChIKey is QLGNZFQJEFFGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33O3/c1-8-9-14-12-23-19(24-13-14)15-10-16(20(2,3)4)18(22)17(11-15)21(5,6)7/h10-11,14,22H,8-9,12-13H2,1-7H3.
What are the key properties of CID 164702720?
CID 164702720 has a molecular weight of 333.49 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164702720 is sourced from PubChem (CID 164702720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).