CID 102111627

C14H23O3 — CID 102111627

IUPAC—
SMILESCC(=O)CCC1C(=O)[C@H]([C@@H](C)[CH]O)CC[C@H]1C
InChIInChI=1S/C14H23O3/c1-9-4-6-13(10(2)8-15)14(17)12(9)7-5-11(3)16/h8-10,12-13,15H,4-7H2,1-3H3/t9-,10+,12?,13+/m1/s1
InChIKeyGTIAJHQMZBDSLT-KYDPMBILSA-N
MW239.33 g/mol
LogP2.76
Rot. Bonds5

About CID 102111627

CID 102111627 (PubChem CID 102111627) has the molecular formula C14H23O3 and a molecular weight of 239.33 g/mol.

Molecular Properties

Compound NameCID 102111627
PubChem CID102111627
Molecular FormulaC14H23O3
Molecular Weight239.33 g/mol
Exact Mass239.16
IUPAC Name—
SMILESCC(=O)CCC1C(=O)[C@H]([C@@H](C)[CH]O)CC[C@H]1C
InChIInChI=1S/C14H23O3/c1-9-4-6-13(10(2)8-15)14(17)12(9)7-5-11(3)16/h8-10,12-13,15H,4-7H2,1-3H3/t9-,10+,12?,13+/m1/s1
InChIKeyGTIAJHQMZBDSLT-KYDPMBILSA-N
XLogP2.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 102111627?
The IUPAC name of CID 102111627 (CID 102111627) is not available.
What is the SMILES notation for CID 102111627?
The canonical SMILES for CID 102111627 is CC(=O)CCC1C(=O)[C@H]([C@@H](C)[CH]O)CC[C@H]1C.
What is the InChIKey of CID 102111627?
The InChIKey is GTIAJHQMZBDSLT-KYDPMBILSA-N. The full InChI is InChI=1S/C14H23O3/c1-9-4-6-13(10(2)8-15)14(17)12(9)7-5-11(3)16/h8-10,12-13,15H,4-7H2,1-3H3/t9-,10+,12?,13+/m1/s1.
What are the key properties of CID 102111627?
CID 102111627 has a molecular weight of 239.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102111627 is sourced from PubChem (CID 102111627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).