cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone

C14H22O2 — CID 65154539

IUPACcyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)C2=CCCCC2)C1C
InChIInChI=1S/C14H22O2/c1-9-10(2)16-11(3)13(9)14(15)12-7-5-4-6-8-12/h7,9-11,13H,4-6,8H2,1-3H3
InChIKeyRJQRRACQACQUOO-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.12
Rot. Bonds2

About cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone

cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 65154539) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID65154539
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namecyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)C2=CCCCC2)C1C
InChIInChI=1S/C14H22O2/c1-9-10(2)16-11(3)13(9)14(15)12-7-5-4-6-8-12/h7,9-11,13H,4-6,8H2,1-3H3
InChIKeyRJQRRACQACQUOO-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Oxopelenolide a
CID 12304831
Leptodienone B
CID 25110933
Leptodienone A
CID 25110932
(E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-4-en-3-one
CID 102441804
(3R,3aR,6E,10R,11aR)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
CID 163003863
(3R,3aS,6E,10R,11aR)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
CID 163003865
1,10-Epoxygermacrone
CID 15139241
(1S,6E,10R)-1,7-dimethyl-4-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-3-one
CID 86279072
(1S,5R)-1-(ethoxymethyl)-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-one
CID 127041223
Ketopelenolide A
CID 6449985
1,5,9-Trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one
CID 74423110
(1R,6Z,10S)-1,7-dimethyl-4-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-3-one
CID 101664155

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone (CID 65154539) is cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)C2=CCCCC2)C1C.
What is the InChIKey of cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is RJQRRACQACQUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-10(2)16-11(3)13(9)14(15)12-7-5-4-6-8-12/h7,9-11,13H,4-6,8H2,1-3H3.
What are the key properties of cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 65154539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).