(3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine

C9H14O2 — CID 15956213

IUPAC(3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine
SMILESC1=C[C@@H](C2CCCC2)OOC1
InChIInChI=1S/C9H14O2/c1-2-5-8(4-1)9-6-3-7-10-11-9/h3,6,8-9H,1-2,4-5,7H2/t9-/m0/s1
InChIKeyKYVUIZZDLHPMPM-VIFPVBQESA-N
MW154.21 g/mol
LogP2.06
Rot. Bonds1

About (3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine

(3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine (PubChem CID 15956213) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine.

Molecular Properties

Compound Name(3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine
PubChem CID15956213
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine
SMILESC1=C[C@@H](C2CCCC2)OOC1
InChIInChI=1S/C9H14O2/c1-2-5-8(4-1)9-6-3-7-10-11-9/h3,6,8-9H,1-2,4-5,7H2/t9-/m0/s1
InChIKeyKYVUIZZDLHPMPM-VIFPVBQESA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine?
The IUPAC name of (3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine (CID 15956213) is (3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine.
What is the SMILES notation for (3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine?
The canonical SMILES for (3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine is C1=C[C@@H](C2CCCC2)OOC1.
What is the InChIKey of (3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine?
The InChIKey is KYVUIZZDLHPMPM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O2/c1-2-5-8(4-1)9-6-3-7-10-11-9/h3,6,8-9H,1-2,4-5,7H2/t9-/m0/s1.
What are the key properties of (3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine?
(3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine has a molecular weight of 154.21 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopentyl-3,6-dihydro-1,2-dioxine is sourced from PubChem (CID 15956213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).