CID 13457078

C18H28O6 — CID 13457078

IUPAC—
SMILESO[C@@H]1[C@H](O)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12
InChIInChI=1S/C18H28O6/c19-11-12(20)14-16(24-18(22-14)9-5-2-6-10-18)15-13(11)21-17(23-15)7-3-1-4-8-17/h11-16,19-20H,1-10H2/t11-,12+,13+,14-,15-,16-/m1/s1
InChIKeyPHAPESVEHHOBEI-HIFUNWJGSA-N
MW340.42 g/mol
LogP1.61
Rot. Bonds

About CID 13457078

CID 13457078 (PubChem CID 13457078) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol.

Molecular Properties

Compound NameCID 13457078
PubChem CID13457078
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name—
SMILESO[C@@H]1[C@H](O)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12
InChIInChI=1S/C18H28O6/c19-11-12(20)14-16(24-18(22-14)9-5-2-6-10-18)15-13(11)21-17(23-15)7-3-1-4-8-17/h11-16,19-20H,1-10H2/t11-,12+,13+,14-,15-,16-/m1/s1
InChIKeyPHAPESVEHHOBEI-HIFUNWJGSA-N
XLogP1.61
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 13457078?
The IUPAC name of CID 13457078 (CID 13457078) is not available.
What is the SMILES notation for CID 13457078?
The canonical SMILES for CID 13457078 is O[C@@H]1[C@H](O)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12.
What is the InChIKey of CID 13457078?
The InChIKey is PHAPESVEHHOBEI-HIFUNWJGSA-N. The full InChI is InChI=1S/C18H28O6/c19-11-12(20)14-16(24-18(22-14)9-5-2-6-10-18)15-13(11)21-17(23-15)7-3-1-4-8-17/h11-16,19-20H,1-10H2/t11-,12+,13+,14-,15-,16-/m1/s1.
What are the key properties of CID 13457078?
CID 13457078 has a molecular weight of 340.42 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13457078 is sourced from PubChem (CID 13457078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).