CID 102188245

C9H18NO3 — CID 102188245

IUPAC—
SMILESCC1(C)CC(O)CC(C)(C)N1O[O]
InChIInChI=1S/C9H18NO3/c1-8(2)5-7(11)6-9(3,4)10(8)13-12/h7,11H,5-6H2,1-4H3
InChIKeyHZNPVFVRWDYRSX-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.28
Rot. Bonds1

About CID 102188245

CID 102188245 (PubChem CID 102188245) has the molecular formula C9H18NO3 and a molecular weight of 188.25 g/mol.

Molecular Properties

Compound NameCID 102188245
PubChem CID102188245
Molecular FormulaC9H18NO3
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name—
SMILESCC1(C)CC(O)CC(C)(C)N1O[O]
InChIInChI=1S/C9H18NO3/c1-8(2)5-7(11)6-9(3,4)10(8)13-12/h7,11H,5-6H2,1-4H3
InChIKeyHZNPVFVRWDYRSX-UHFFFAOYSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 57082175
1-(methoxymethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 25033837
methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 23279644
hydroxy-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-oxophosphanium
CID 172793383
methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 20596274
1-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 101197043
2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol
CID 22094181
1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 88999908
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 6850828
1-[(2Z)-2-methoxyiminopropoxy]-2,2,6,6-tetramethylpiperidin-4-ol
CID 59510532
1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane
CID 161023393
1-(1-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 22165910

Frequently Asked Questions

What is the IUPAC name of CID 102188245?
The IUPAC name of CID 102188245 (CID 102188245) is not available.
What is the SMILES notation for CID 102188245?
The canonical SMILES for CID 102188245 is CC1(C)CC(O)CC(C)(C)N1O[O].
What is the InChIKey of CID 102188245?
The InChIKey is HZNPVFVRWDYRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3/c1-8(2)5-7(11)6-9(3,4)10(8)13-12/h7,11H,5-6H2,1-4H3.
What are the key properties of CID 102188245?
CID 102188245 has a molecular weight of 188.25 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102188245 is sourced from PubChem (CID 102188245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).