CID 102504772

C10H19O3 — CID 102504772

IUPAC—
SMILESC[C](C)CCC(=O)OOC(C)(C)C
InChIInChI=1S/C10H19O3/c1-8(2)6-7-9(11)12-13-10(3,4)5/h6-7H2,1-5H3
InChIKeyKIRGEPOOYGCHII-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.65
Rot. Bonds4

About CID 102504772

CID 102504772 (PubChem CID 102504772) has the molecular formula C10H19O3 and a molecular weight of 187.26 g/mol.

Molecular Properties

Compound NameCID 102504772
PubChem CID102504772
Molecular FormulaC10H19O3
Molecular Weight187.26 g/mol
Exact Mass187.13
IUPAC Name—
SMILESC[C](C)CCC(=O)OOC(C)(C)C
InChIInChI=1S/C10H19O3/c1-8(2)6-7-9(11)12-13-10(3,4)5/h6-7H2,1-5H3
InChIKeyKIRGEPOOYGCHII-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
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

ditert-butyl dodecanediperoxoate
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tert-butyl 3-(3-tert-butylperoxy-3-oxopropoxy)propaneperoxoate
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CID 172713321
CID 172713321
(2-tert-butylperoxy-2-oxoethyl)phosphonic acid
CID 71396047
tert-butyl 3-carbonochloridoyloxypropaneperoxoate
CID 20559661
ditert-butyl 2-methylheptanediperoxoate
CID 101280560
tert-butyl 2-methoxyethaneperoxoate
CID 22323612
tert-butyl 3,3,5-trimethylhexaneperoxoate
CID 18963177
tert-butyl 2-[2-[2-[2-(2-tert-butylperoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethaneperoxoate
CID 139692789
2-tert-butyl-3,3-dimethylbutaneperoxoic acid;tert-butyl 4,4-dimethylpentaneperoxoate
CID 175704891
tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate
CID 154021556
2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate
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Frequently Asked Questions

What is the IUPAC name of CID 102504772?
The IUPAC name of CID 102504772 (CID 102504772) is not available.
What is the SMILES notation for CID 102504772?
The canonical SMILES for CID 102504772 is C[C](C)CCC(=O)OOC(C)(C)C.
What is the InChIKey of CID 102504772?
The InChIKey is KIRGEPOOYGCHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3/c1-8(2)6-7-9(11)12-13-10(3,4)5/h6-7H2,1-5H3.
What are the key properties of CID 102504772?
CID 102504772 has a molecular weight of 187.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102504772 is sourced from PubChem (CID 102504772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).