cyclohepten-1-yl-(1-methoxycyclobutyl)methanone

C13H20O2 — CID 106652209

IUPACcyclohepten-1-yl-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)C2=CCCCCC2)CCC1
InChIInChI=1S/C13H20O2/c1-15-13(9-6-10-13)12(14)11-7-4-2-3-5-8-11/h7H,2-6,8-10H2,1H3
InChIKeyOGJQGPYJCPBDSJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.02
Rot. Bonds3

About cyclohepten-1-yl-(1-methoxycyclobutyl)methanone

cyclohepten-1-yl-(1-methoxycyclobutyl)methanone (PubChem CID 106652209) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-methoxycyclobutyl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-methoxycyclobutyl)methanone
PubChem CID106652209
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namecyclohepten-1-yl-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)C2=CCCCCC2)CCC1
InChIInChI=1S/C13H20O2/c1-15-13(9-6-10-13)12(14)11-7-4-2-3-5-8-11/h7H,2-6,8-10H2,1H3
InChIKeyOGJQGPYJCPBDSJ-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10082847
(5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione
CID 91400266
2,5-Diethyl-5-pentoxycyclohex-2-ene-1,4-dione
CID 174842943
1-(2,6,6-Trimethyloxan-2-yl)pent-2-en-1-one
CID 2832772
1-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2-penten-1-one
CID 5718321
(E)-1-[(2S)-2,6,6-trimethyloxan-2-yl]pent-2-en-1-one
CID 7061404
(E)-1-[(2R)-2,6,6-trimethyloxan-2-yl]pent-2-en-1-one
CID 7061405
2-Butyl-4-methoxy-4-methylcyclobut-2-en-1-one
CID 11789608
(4S)-4-methoxy-4-methyl-2-(5-methylhex-5-en-2-yl)cyclobut-2-en-1-one
CID 15653878
Cyclopenten-1-yl-(2-methyloxolan-2-yl)methanone
CID 80181350
Cyclohepten-1-yl-(2-methyloxolan-2-yl)methanone
CID 80181351
Cyclohexen-1-yl-(2-methyloxolan-2-yl)methanone
CID 80182621

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-methoxycyclobutyl)methanone?
The IUPAC name of cyclohepten-1-yl-(1-methoxycyclobutyl)methanone (CID 106652209) is cyclohepten-1-yl-(1-methoxycyclobutyl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(1-methoxycyclobutyl)methanone?
The canonical SMILES for cyclohepten-1-yl-(1-methoxycyclobutyl)methanone is COC1(C(=O)C2=CCCCCC2)CCC1.
What is the InChIKey of cyclohepten-1-yl-(1-methoxycyclobutyl)methanone?
The InChIKey is OGJQGPYJCPBDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-15-13(9-6-10-13)12(14)11-7-4-2-3-5-8-11/h7H,2-6,8-10H2,1H3.
What are the key properties of cyclohepten-1-yl-(1-methoxycyclobutyl)methanone?
cyclohepten-1-yl-(1-methoxycyclobutyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(1-methoxycyclobutyl)methanone is sourced from PubChem (CID 106652209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).