CID 58974129

C15H28NO3 — CID 58974129

IUPAC—
SMILESCCC1(C)C(C)C2(OCCO2)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C15H28NO3/c1-7-13(5)11(3)15(18-9-10-19-15)12(4)14(6,8-2)16(13)17/h11-12H,7-10H2,1-6H3
InChIKeySJJFAIDSVXRIPY-UHFFFAOYSA-N
MW270.39 g/mol
LogP3.00
Rot. Bonds2

About CID 58974129

CID 58974129 (PubChem CID 58974129) has the molecular formula C15H28NO3 and a molecular weight of 270.39 g/mol.

Molecular Properties

Compound NameCID 58974129
PubChem CID58974129
Molecular FormulaC15H28NO3
Molecular Weight270.39 g/mol
Exact Mass270.21
IUPAC Name—
SMILESCCC1(C)C(C)C2(OCCO2)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C15H28NO3/c1-7-13(5)11(3)15(18-9-10-19-15)12(4)14(6,8-2)16(13)17/h11-12H,7-10H2,1-6H3
InChIKeySJJFAIDSVXRIPY-UHFFFAOYSA-N
XLogP3.00
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58974129?
The IUPAC name of CID 58974129 (CID 58974129) is not available.
What is the SMILES notation for CID 58974129?
The canonical SMILES for CID 58974129 is CCC1(C)C(C)C2(OCCO2)C(C)C(C)(CC)N1[O].
What is the InChIKey of CID 58974129?
The InChIKey is SJJFAIDSVXRIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28NO3/c1-7-13(5)11(3)15(18-9-10-19-15)12(4)14(6,8-2)16(13)17/h11-12H,7-10H2,1-6H3.
What are the key properties of CID 58974129?
CID 58974129 has a molecular weight of 270.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58974129 is sourced from PubChem (CID 58974129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).