CID 160950059

C19H30O5 — CID 160950059

IUPAC—
SMILESC[C@H]1[C@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C19H30O5/c1-12-13(20)15-17(24-19(22-15)10-6-3-7-11-19)16-14(12)21-18(23-16)8-4-2-5-9-18/h12-17,20H,2-11H2,1H3/t12-,13-,14+,15-,16-,17-/m0/s1
InChIKeyNPQWGNNCMYGOIT-WBAHDQRJSA-N
MW338.44 g/mol
LogP2.89
Rot. Bonds

About CID 160950059

CID 160950059 (PubChem CID 160950059) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol.

Molecular Properties

Compound NameCID 160950059
PubChem CID160950059
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name—
SMILESC[C@H]1[C@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C19H30O5/c1-12-13(20)15-17(24-19(22-15)10-6-3-7-11-19)16-14(12)21-18(23-16)8-4-2-5-9-18/h12-17,20H,2-11H2,1H3/t12-,13-,14+,15-,16-,17-/m0/s1
InChIKeyNPQWGNNCMYGOIT-WBAHDQRJSA-N
XLogP2.89
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 160950059?
The IUPAC name of CID 160950059 (CID 160950059) is not available.
What is the SMILES notation for CID 160950059?
The canonical SMILES for CID 160950059 is C[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 160950059?
The InChIKey is NPQWGNNCMYGOIT-WBAHDQRJSA-N. The full InChI is InChI=1S/C19H30O5/c1-12-13(20)15-17(24-19(22-15)10-6-3-7-11-19)16-14(12)21-18(23-16)8-4-2-5-9-18/h12-17,20H,2-11H2,1H3/t12-,13-,14+,15-,16-,17-/m0/s1.
What are the key properties of CID 160950059?
CID 160950059 has a molecular weight of 338.44 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160950059 is sourced from PubChem (CID 160950059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).