2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete

C10H10O2 — CID 85369181

IUPAC2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete
SMILESc1ccc2c(c1)CC1OOC1C2
InChIInChI=1S/C10H10O2/c1-2-4-8-6-10-9(11-12-10)5-7(8)3-1/h1-4,9-10H,5-6H2
InChIKeyRFSVWIQBDYWEDZ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.48
Rot. Bonds

About 2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete

2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete (PubChem CID 85369181) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete.

Molecular Properties

Compound Name2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete
PubChem CID85369181
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete
SMILESc1ccc2c(c1)CC1OOC1C2
InChIInChI=1S/C10H10O2/c1-2-4-8-6-10-9(11-12-10)5-7(8)3-1/h1-4,9-10H,5-6H2
InChIKeyRFSVWIQBDYWEDZ-UHFFFAOYSA-N
XLogP1.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete?
The IUPAC name of 2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete (CID 85369181) is 2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete.
What is the SMILES notation for 2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete?
The canonical SMILES for 2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete is c1ccc2c(c1)CC1OOC1C2.
What is the InChIKey of 2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete?
The InChIKey is RFSVWIQBDYWEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-4-8-6-10-9(11-12-10)5-7(8)3-1/h1-4,9-10H,5-6H2.
What are the key properties of 2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete?
2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete has a molecular weight of 162.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2a,3,8,8a-tetrahydronaphtho[2,3-c]dioxete is sourced from PubChem (CID 85369181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).