3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one

C12H18O3 — CID 11644165

IUPAC3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one
SMILESO=C1C=C(OCC2CCCCO2)CCC1
InChIInChI=1S/C12H18O3/c13-10-4-3-6-11(8-10)15-9-12-5-1-2-7-14-12/h8,12H,1-7,9H2
InChIKeyLUMZMRAVFWNLOW-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.21
Rot. Bonds3

About 3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one

3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one (PubChem CID 11644165) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one
PubChem CID11644165
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one
SMILESO=C1C=C(OCC2CCCCO2)CCC1
InChIInChI=1S/C12H18O3/c13-10-4-3-6-11(8-10)15-9-12-5-1-2-7-14-12/h8,12H,1-7,9H2
InChIKeyLUMZMRAVFWNLOW-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethoxycyclohex-2-ene-1-one
CID 79216
3-Isobutoxycyclohex-2-en-1-one
CID 89991
3-Butoxycyclohex-2-en-1-one
CID 85454
3-Isopropoxycyclohex-2-en-1-one
CID 94095
3-Butan-2-yloxycyclohex-2-en-1-one
CID 14493361
3-Pent-4-en-2-yloxycyclohex-2-en-1-one
CID 154707097
3-But-3-enoxycyclohex-2-en-1-one
CID 13837987
3-Pent-4-enoxycyclohex-2-en-1-one
CID 15932985
3-Hex-5-enoxycyclohex-2-en-1-one
CID 15932986
3-Propoxycyclohex-2-en-1-one
CID 13702354
3-(2-Hydroxycyclohexyl)oxycyclohex-2-en-1-one
CID 23729475
3-[(1S)-2-hydroxycyclohexyl]oxycyclohex-2-en-1-one
CID 69451503

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one?
The IUPAC name of 3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one (CID 11644165) is 3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one?
The canonical SMILES for 3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one is O=C1C=C(OCC2CCCCO2)CCC1.
What is the InChIKey of 3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one?
The InChIKey is LUMZMRAVFWNLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-10-4-3-6-11(8-10)15-9-12-5-1-2-7-14-12/h8,12H,1-7,9H2.
What are the key properties of 3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one?
3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one has a molecular weight of 210.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethoxy)cyclohex-2-en-1-one is sourced from PubChem (CID 11644165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).