CID 134998621

C23H34O7 — CID 134998621

IUPAC—
SMILESCCOC(=O)C1CC12OC([C@@H]1COC3(CCCCC3)O1)C1OC3(CCCCC3)OC12
InChIInChI=1S/C23H34O7/c1-2-25-20(24)15-13-23(15)19-18(28-22(30-19)11-7-4-8-12-22)17(29-23)16-14-26-21(27-16)9-5-3-6-10-21/h15-19H,2-14H2,1H3/t15?,16-,17?,18?,19?,23?/m0/s1
InChIKeyGBONUQKXMKKUHD-YFKLIOJNSA-N
MW422.52 g/mol
LogP3.23
Rot. Bonds3

About CID 134998621

CID 134998621 (PubChem CID 134998621) has the molecular formula C23H34O7 and a molecular weight of 422.52 g/mol.

Molecular Properties

Compound NameCID 134998621
PubChem CID134998621
Molecular FormulaC23H34O7
Molecular Weight422.52 g/mol
Exact Mass422.23
IUPAC Name—
SMILESCCOC(=O)C1CC12OC([C@@H]1COC3(CCCCC3)O1)C1OC3(CCCCC3)OC12
InChIInChI=1S/C23H34O7/c1-2-25-20(24)15-13-23(15)19-18(28-22(30-19)11-7-4-8-12-22)17(29-23)16-14-26-21(27-16)9-5-3-6-10-21/h15-19H,2-14H2,1H3/t15?,16-,17?,18?,19?,23?/m0/s1
InChIKeyGBONUQKXMKKUHD-YFKLIOJNSA-N
XLogP3.23
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 134998621?
The IUPAC name of CID 134998621 (CID 134998621) is not available.
What is the SMILES notation for CID 134998621?
The canonical SMILES for CID 134998621 is CCOC(=O)C1CC12OC([C@@H]1COC3(CCCCC3)O1)C1OC3(CCCCC3)OC12.
What is the InChIKey of CID 134998621?
The InChIKey is GBONUQKXMKKUHD-YFKLIOJNSA-N. The full InChI is InChI=1S/C23H34O7/c1-2-25-20(24)15-13-23(15)19-18(28-22(30-19)11-7-4-8-12-22)17(29-23)16-14-26-21(27-16)9-5-3-6-10-21/h15-19H,2-14H2,1H3/t15?,16-,17?,18?,19?,23?/m0/s1.
What are the key properties of CID 134998621?
CID 134998621 has a molecular weight of 422.52 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134998621 is sourced from PubChem (CID 134998621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).