3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one

C10H14O3 — CID 91472547

IUPAC3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2COCCO2)CCC1
InChIInChI=1S/C10H14O3/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h6,10H,1-5,7H2
InChIKeyXHONLSHQLUQUPD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.08
Rot. Bonds1

About 3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one

3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one (PubChem CID 91472547) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one
PubChem CID91472547
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2COCCO2)CCC1
InChIInChI=1S/C10H14O3/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h6,10H,1-5,7H2
InChIKeyXHONLSHQLUQUPD-UHFFFAOYSA-N
XLogP1.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetyl-3-ethoxy-1-cyclohexene
CID 15143066
Tetrahydropyranylbenzoquinone
CID 15462988
7-Pent-4-enyl-2,3,4a,7a-tetrahydrocyclopenta[b][1,4]dioxin-5-one
CID 10512551
7-Butyl-2,3,4a,7a-tetrahydrocyclopenta[b][1,4]dioxin-5-one
CID 10535881
3-(Ethoxymethyl)cyclohex-2-en-1-one
CID 18920531
5-(Oxan-2-yl)cyclohex-4-ene-1,3-dione
CID 23178164
6-methoxy-4,6,7,8-tetrahydro-3H-naphthalen-2-one
CID 68446381
4-(Oxan-2-yl)-6-oxocyclohexa-1,3-diene-1-carbaldehyde
CID 88528475
1-(4,5-Dimethoxy-3-propan-2-yloxycyclohexen-1-yl)ethanone
CID 121263514
1-(3-Ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone
CID 121265068
5,6-Dimethoxy-2,3,4,5-tetrahydroinden-1-one
CID 141073702
5-(Oxan-2-yl)cyclohexa-2,4-dien-1-one
CID 173398586

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one (CID 91472547) is 3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one is O=C1C=C(C2COCCO2)CCC1.
What is the InChIKey of 3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one?
The InChIKey is XHONLSHQLUQUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h6,10H,1-5,7H2.
What are the key properties of 3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one?
3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 91472547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).