4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one

C11H16O2 — CID 13213619

IUPAC4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one
SMILESO=C1C=CC(CC2CCCO2)CC1
InChIInChI=1S/C11H16O2/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3,5,9,11H,1-2,4,6-8H2
InChIKeyDVZNFILJZIOYPQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds2

About 4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one

4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one (PubChem CID 13213619) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one
PubChem CID13213619
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one
SMILESO=C1C=CC(CC2CCCO2)CC1
InChIInChI=1S/C11H16O2/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3,5,9,11H,1-2,4,6-8H2
InChIKeyDVZNFILJZIOYPQ-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one (CID 13213619) is 4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one is O=C1C=CC(CC2CCCO2)CC1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is DVZNFILJZIOYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3,5,9,11H,1-2,4,6-8H2.
What are the key properties of 4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one?
4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 13213619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).