carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane)

C24H48O10 — CID 173414586

IUPACcarbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane)
SMILESCC(C)CC(COO)C1CCCC1.CC(C)CC(COO)C1CCCC1.O=C(O)O.O=C(O)O
InChIInChI=1S/2C11H22O2.2CH2O3/c2*1-9(2)7-11(8-13-12)10-5-3-4-6-10;2*2-1(3)4/h2*9-12H,3-8H2,1-2H3;2*(H2,2,3,4)
InChIKeyRRXWMRGVPDDSMF-UHFFFAOYSA-N
MW496.64 g/mol
LogP7.10
Rot. Bonds10

About carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane)

carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane) (PubChem CID 173414586) has the molecular formula C24H48O10 and a molecular weight of 496.64 g/mol. Its IUPAC name is carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane).

Molecular Properties

Compound Namecarbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane)
PubChem CID173414586
Molecular FormulaC24H48O10
Molecular Weight496.64 g/mol
Exact Mass496.32
IUPAC Namecarbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane)
SMILESCC(C)CC(COO)C1CCCC1.CC(C)CC(COO)C1CCCC1.O=C(O)O.O=C(O)O
InChIInChI=1S/2C11H22O2.2CH2O3/c2*1-9(2)7-11(8-13-12)10-5-3-4-6-10;2*2-1(3)4/h2*9-12H,3-8H2,1-2H3;2*(H2,2,3,4)
InChIKeyRRXWMRGVPDDSMF-UHFFFAOYSA-N
XLogP7.10
TPSA173.98 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500496.64
LogP ≤ 57.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane)?
The IUPAC name of carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane) (CID 173414586) is carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane).
What is the SMILES notation for carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane)?
The canonical SMILES for carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane) is CC(C)CC(COO)C1CCCC1.CC(C)CC(COO)C1CCCC1.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane)?
The InChIKey is RRXWMRGVPDDSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22O2.2CH2O3/c2*1-9(2)7-11(8-13-12)10-5-3-4-6-10;2*2-1(3)4/h2*9-12H,3-8H2,1-2H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane)?
carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane) has a molecular weight of 496.64 g/mol, XLogP of 7.10, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane) is sourced from PubChem (CID 173414586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).