3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one

C10H14O3 — CID 11651252

IUPAC3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one
SMILESO=C1C=C(CC2OCCO2)CCC1
InChIInChI=1S/C10H14O3/c11-9-3-1-2-8(6-9)7-10-12-4-5-13-10/h6,10H,1-5,7H2
InChIKeyYJUOKRNLQIWNKG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds2

About 3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one

3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one (PubChem CID 11651252) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one
PubChem CID11651252
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one
SMILESO=C1C=C(CC2OCCO2)CCC1
InChIInChI=1S/C10H14O3/c11-9-3-1-2-8(6-9)7-10-12-4-5-13-10/h6,10H,1-5,7H2
InChIKeyYJUOKRNLQIWNKG-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1,3-Dioxan-2-yl)ethyl]-2-cyclohexen-1-one
CID 11310340
3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohex-3-en-1-one
CID 13396914
3-[4-(1,3-Dioxan-2-yl)butyl]cyclopent-2-en-1-one
CID 134963564
Spiro[bicyclo[4.3.0]non-1(6)-en-7-one-4,2'-(1',3'-dioxolane)]
CID 559884
3-[3-(1,3-Dioxolan-2-yl)propyl]cyclohex-2-en-1-one
CID 12210045
4,4-Ethylendioxy-1-(5-oxohexanoyl)cyclohexene
CID 13874342
1-Acetyl-4,4-ethylenedioxycyclohexene
CID 14165944
3-(2-(1,3-Dioxolan-2-yl)ethyl)cyclohex-2-en-1-one
CID 10921454
2-[7-[(Tetrahydro-2h-pyran-2-yl)oxy]heptyl]-2-cyclopenten-1-one
CID 21325442
2-[6-(Oxan-2-yloxy)hexyl]cyclopent-2-en-1-one
CID 57275588
4-(Oxolan-2-ylmethyl)cyclohex-3-ene-1,2-dione
CID 141278872
2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]cyclohex-2-en-1-one
CID 10242224

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one (CID 11651252) is 3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one is O=C1C=C(CC2OCCO2)CCC1.
What is the InChIKey of 3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is YJUOKRNLQIWNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-3-1-2-8(6-9)7-10-12-4-5-13-10/h6,10H,1-5,7H2.
What are the key properties of 3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one?
3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 11651252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).