cycloocten-1-yl-(1-methoxycyclopentyl)methanone

C15H24O2 — CID 106652201

IUPACcycloocten-1-yl-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)C2=CCCCCCC2)CCCC1
InChIInChI=1S/C15H24O2/c1-17-15(11-7-8-12-15)14(16)13-9-5-3-2-4-6-10-13/h9H,2-8,10-12H2,1H3
InChIKeyGGHNAMLMEYPGEB-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.80
Rot. Bonds3

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

cycloocten-1-yl-(1-methoxycyclopentyl)methanone (PubChem CID 106652201) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cycloocten-1-yl-(1-methoxycyclopentyl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl-(1-methoxycyclopentyl)methanone
PubChem CID106652201
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecycloocten-1-yl-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)C2=CCCCCCC2)CCCC1
InChIInChI=1S/C15H24O2/c1-17-15(11-7-8-12-15)14(16)13-9-5-3-2-4-6-10-13/h9H,2-8,10-12H2,1H3
InChIKeyGGHNAMLMEYPGEB-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-Methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one
CID 13888150
2-Cyclopentyl-7-methoxycyclohepta-2,4,6-trien-1-one
CID 146178967
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
2-Hexyl-2,5-dimethylfuran-3-one
CID 12416268
6,6-dimethoxy-2,3,7,7a-tetrahydro-1H-inden-5-one
CID 14386767
(4S)-4-methoxy-4-methyl-2-(5-methylhex-5-en-2-yl)cyclobut-2-en-1-one
CID 15653878
3-Methoxy-9-methylidenespiro[4.4]non-3-en-2-one
CID 16663697

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(1-methoxycyclopentyl)methanone?
The IUPAC name of cycloocten-1-yl-(1-methoxycyclopentyl)methanone (CID 106652201) is cycloocten-1-yl-(1-methoxycyclopentyl)methanone.
What is the SMILES notation for cycloocten-1-yl-(1-methoxycyclopentyl)methanone?
The canonical SMILES for cycloocten-1-yl-(1-methoxycyclopentyl)methanone is COC1(C(=O)C2=CCCCCCC2)CCCC1.
What is the InChIKey of cycloocten-1-yl-(1-methoxycyclopentyl)methanone?
The InChIKey is GGHNAMLMEYPGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-17-15(11-7-8-12-15)14(16)13-9-5-3-2-4-6-10-13/h9H,2-8,10-12H2,1H3.
What are the key properties of cycloocten-1-yl-(1-methoxycyclopentyl)methanone?
cycloocten-1-yl-(1-methoxycyclopentyl)methanone has a molecular weight of 236.35 g/mol, XLogP of 3.80, 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-methoxycyclopentyl)methanone is sourced from PubChem (CID 106652201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).