1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol

C9H14O3 — CID 13483421

IUPAC1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol
SMILESOC1(C2=COCCO2)CCCC1
InChIInChI=1S/C9H14O3/c10-9(3-1-2-4-9)8-7-11-5-6-12-8/h7,10H,1-6H2
InChIKeyDYAOOALZQRUKHM-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.18
Rot. Bonds1

About 1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol

1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol (PubChem CID 13483421) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol
PubChem CID13483421
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol
SMILESOC1(C2=COCCO2)CCCC1
InChIInChI=1S/C9H14O3/c10-9(3-1-2-4-9)8-7-11-5-6-12-8/h7,10H,1-6H2
InChIKeyDYAOOALZQRUKHM-UHFFFAOYSA-N
XLogP1.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol (CID 13483421) is 1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol is OC1(C2=COCCO2)CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol?
The InChIKey is DYAOOALZQRUKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-9(3-1-2-4-9)8-7-11-5-6-12-8/h7,10H,1-6H2.
What are the key properties of 1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol?
1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol has a molecular weight of 170.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-dioxin-5-yl)cyclopentan-1-ol is sourced from PubChem (CID 13483421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).