3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane

C11H11ClO2 — CID 56927325

IUPAC3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane
SMILESClc1ccc(C2OOC23CCC3)cc1
InChIInChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)10-11(14-13-10)6-1-7-11/h2-5,10H,1,6-7H2
InChIKeyVVKZLQFYOPYJSS-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.27
Rot. Bonds1

About 3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane

3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane (PubChem CID 56927325) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane
PubChem CID56927325
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane
SMILESClc1ccc(C2OOC23CCC3)cc1
InChIInChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)10-11(14-13-10)6-1-7-11/h2-5,10H,1,6-7H2
InChIKeyVVKZLQFYOPYJSS-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-1,2-dioxaspiro[3.3]heptane
CID 56926843
(2R,4R,8R)-2-(4-chlorophenyl)-1-oxa-4lambda4,8lambda4-dithiaspiro[2.5]octane 4,8-dioxide
CID 10589628
5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane
CID 14809978
1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65107309
1-[[4-(4-chlorophenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine
CID 3061094
8-(4-chlorophenyl)-1,7,9-trioxaspiro[4.5]decane
CID 134094478
3-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 82024492
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
CID 91148792
(2S,3'S)-3'-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933126
3-(4-chlorophenyl)oxetane
CID 130113875
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
3-(4-chlorophenyl)-2,2-bis(prop-2-enyl)oxirane
CID 57380797

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane?
The IUPAC name of 3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane (CID 56927325) is 3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane.
What is the SMILES notation for 3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane?
The canonical SMILES for 3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane is Clc1ccc(C2OOC23CCC3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane?
The InChIKey is VVKZLQFYOPYJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)10-11(14-13-10)6-1-7-11/h2-5,10H,1,6-7H2.
What are the key properties of 3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane?
3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane has a molecular weight of 210.66 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,2-dioxaspiro[3.3]heptane is sourced from PubChem (CID 56927325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).