cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone

C12H18O2 — CID 81329803

IUPACcyclohexen-1-yl-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)C2=CCCCC2)O1
InChIInChI=1S/C12H18O2/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h5,9,11H,2-4,6-8H2,1H3
InChIKeyGTBBFAGVDFUZSR-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.62
Rot. Bonds2

About cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone

cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone (PubChem CID 81329803) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(5-methyloxolan-2-yl)methanone
PubChem CID81329803
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namecyclohexen-1-yl-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)C2=CCCCC2)O1
InChIInChI=1S/C12H18O2/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h5,9,11H,2-4,6-8H2,1H3
InChIKeyGTBBFAGVDFUZSR-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexen-1-yl-(2-methylcyclopentyl)methanone
CID 107176498
cyclohexen-1-yl-(3-methylcyclopentyl)methanone
CID 106651922
cyclohexen-1-yl(1,4-dioxan-2-yl)methanone
CID 62800073
cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 106655849
cyclohepten-1-yl-(3-methylcyclohexyl)methanone
CID 103450394
cycloocten-1-yl(1,4-dioxan-2-yl)methanone
CID 106655930
cyclopenten-1-yl-(2-methylcyclopropyl)methanone
CID 62080123
cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone
CID 107176497
cyclohexen-1-yl(oxan-3-yl)methanone
CID 63011735
cyclohexen-1-yl-(2-ethylcyclohexyl)methanone
CID 103450041
(3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone
CID 81330613
cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 103449867

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone (CID 81329803) is cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)C2=CCCCC2)O1.
What is the InChIKey of cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone?
The InChIKey is GTBBFAGVDFUZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h5,9,11H,2-4,6-8H2,1H3.
What are the key properties of cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone?
cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81329803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).