cycloocten-1-yl-(1-methoxycyclobutyl)methanone

C14H22O2 — CID 106652208

IUPACcycloocten-1-yl-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)C2=CCCCCCC2)CCC1
InChIInChI=1S/C14H22O2/c1-16-14(10-7-11-14)13(15)12-8-5-3-2-4-6-9-12/h8H,2-7,9-11H2,1H3
InChIKeyGUSSYVQKOPCOTP-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.41
Rot. Bonds3

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

cycloocten-1-yl-(1-methoxycyclobutyl)methanone (PubChem CID 106652208) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is cycloocten-1-yl-(1-methoxycyclobutyl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl-(1-methoxycyclobutyl)methanone
PubChem CID106652208
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namecycloocten-1-yl-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)C2=CCCCCCC2)CCC1
InChIInChI=1S/C14H22O2/c1-16-14(10-7-11-14)13(15)12-8-5-3-2-4-6-9-12/h8H,2-7,9-11H2,1H3
InChIKeyGUSSYVQKOPCOTP-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.41
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
8-Butyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one
CID 23051897
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 cycloocten-1-yl-(1-methoxycyclobutyl)methanone?
The IUPAC name of cycloocten-1-yl-(1-methoxycyclobutyl)methanone (CID 106652208) is cycloocten-1-yl-(1-methoxycyclobutyl)methanone.
What is the SMILES notation for cycloocten-1-yl-(1-methoxycyclobutyl)methanone?
The canonical SMILES for cycloocten-1-yl-(1-methoxycyclobutyl)methanone is COC1(C(=O)C2=CCCCCCC2)CCC1.
What is the InChIKey of cycloocten-1-yl-(1-methoxycyclobutyl)methanone?
The InChIKey is GUSSYVQKOPCOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-16-14(10-7-11-14)13(15)12-8-5-3-2-4-6-9-12/h8H,2-7,9-11H2,1H3.
What are the key properties of cycloocten-1-yl-(1-methoxycyclobutyl)methanone?
cycloocten-1-yl-(1-methoxycyclobutyl)methanone has a molecular weight of 222.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(1-methoxycyclobutyl)methanone is sourced from PubChem (CID 106652208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).