3-(oxolan-3-ylmethoxy)cyclohexan-1-one

C11H18O3 — CID 79618597

IUPAC3-(oxolan-3-ylmethoxy)cyclohexan-1-one
SMILESO=C1CCCC(OCC2CCOC2)C1
InChIInChI=1S/C11H18O3/c12-10-2-1-3-11(6-10)14-8-9-4-5-13-7-9/h9,11H,1-8H2
InChIKeyVBCPXHNVBKUGNP-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.55
Rot. Bonds3

About 3-(oxolan-3-ylmethoxy)cyclohexan-1-one

3-(oxolan-3-ylmethoxy)cyclohexan-1-one (PubChem CID 79618597) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethoxy)cyclohexan-1-one.

Molecular Properties

Compound Name3-(oxolan-3-ylmethoxy)cyclohexan-1-one
PubChem CID79618597
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-(oxolan-3-ylmethoxy)cyclohexan-1-one
SMILESO=C1CCCC(OCC2CCOC2)C1
InChIInChI=1S/C11H18O3/c12-10-2-1-3-11(6-10)14-8-9-4-5-13-7-9/h9,11H,1-8H2
InChIKeyVBCPXHNVBKUGNP-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethoxy)cyclohexan-1-one?
The IUPAC name of 3-(oxolan-3-ylmethoxy)cyclohexan-1-one (CID 79618597) is 3-(oxolan-3-ylmethoxy)cyclohexan-1-one.
What is the SMILES notation for 3-(oxolan-3-ylmethoxy)cyclohexan-1-one?
The canonical SMILES for 3-(oxolan-3-ylmethoxy)cyclohexan-1-one is O=C1CCCC(OCC2CCOC2)C1.
What is the InChIKey of 3-(oxolan-3-ylmethoxy)cyclohexan-1-one?
The InChIKey is VBCPXHNVBKUGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10-2-1-3-11(6-10)14-8-9-4-5-13-7-9/h9,11H,1-8H2.
What are the key properties of 3-(oxolan-3-ylmethoxy)cyclohexan-1-one?
3-(oxolan-3-ylmethoxy)cyclohexan-1-one has a molecular weight of 198.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethoxy)cyclohexan-1-one is sourced from PubChem (CID 79618597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).