CID 58982252

C17H30NO5 — CID 58982252

IUPAC—
SMILESCCC1(C)CC2(OCC(COC(C)=O)O2)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C17H30NO5/c1-7-15(5)11-17(12(3)16(6,8-2)18(15)20)22-10-14(23-17)9-21-13(4)19/h12,14H,7-11H2,1-6H3
InChIKeyLUGXYYRORJZKMS-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.69
Rot. Bonds4

About CID 58982252

CID 58982252 (PubChem CID 58982252) has the molecular formula C17H30NO5 and a molecular weight of 328.43 g/mol.

Molecular Properties

Compound NameCID 58982252
PubChem CID58982252
Molecular FormulaC17H30NO5
Molecular Weight328.43 g/mol
Exact Mass328.21
IUPAC Name—
SMILESCCC1(C)CC2(OCC(COC(C)=O)O2)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C17H30NO5/c1-7-15(5)11-17(12(3)16(6,8-2)18(15)20)22-10-14(23-17)9-21-13(4)19/h12,14H,7-11H2,1-6H3
InChIKeyLUGXYYRORJZKMS-UHFFFAOYSA-N
XLogP2.69
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58982252?
The IUPAC name of CID 58982252 (CID 58982252) is not available.
What is the SMILES notation for CID 58982252?
The canonical SMILES for CID 58982252 is CCC1(C)CC2(OCC(COC(C)=O)O2)C(C)C(C)(CC)N1[O].
What is the InChIKey of CID 58982252?
The InChIKey is LUGXYYRORJZKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30NO5/c1-7-15(5)11-17(12(3)16(6,8-2)18(15)20)22-10-14(23-17)9-21-13(4)19/h12,14H,7-11H2,1-6H3.
What are the key properties of CID 58982252?
CID 58982252 has a molecular weight of 328.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58982252 is sourced from PubChem (CID 58982252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).