cycloheptyl(2,3-dihydrofuran-5-yl)methanone

C12H18O2 — CID 102650976

IUPACcycloheptyl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1CCCCCC1
InChIInChI=1S/C12H18O2/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h8,10H,1-7,9H2
InChIKeyAYLLNTWNCNHJLJ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds2

About cycloheptyl(2,3-dihydrofuran-5-yl)methanone

cycloheptyl(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102650976) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is cycloheptyl(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Namecycloheptyl(2,3-dihydrofuran-5-yl)methanone
PubChem CID102650976
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namecycloheptyl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1CCCCCC1
InChIInChI=1S/C12H18O2/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h8,10H,1-7,9H2
InChIKeyAYLLNTWNCNHJLJ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646907
cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646809
2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone
CID 102651043
2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone
CID 102652763
2,3-dihydrofuran-5-yl-(1-methylcyclohexyl)methanone
CID 106829749
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cycloheptylmethanone
CID 62587037
cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone
CID 13113761
2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone
CID 102652614
cyclopenten-1-yl(2,3-dihydrofuran-5-yl)methanone
CID 103448067
2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone
CID 102651090
azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 71926691
2,3-dihydrofuran-5-yl-(1-methoxycyclobutyl)methanone
CID 102651113

Frequently Asked Questions

What is the IUPAC name of cycloheptyl(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of cycloheptyl(2,3-dihydrofuran-5-yl)methanone (CID 102650976) is cycloheptyl(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for cycloheptyl(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for cycloheptyl(2,3-dihydrofuran-5-yl)methanone is O=C(C1=CCCO1)C1CCCCCC1.
What is the InChIKey of cycloheptyl(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is AYLLNTWNCNHJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h8,10H,1-7,9H2.
What are the key properties of cycloheptyl(2,3-dihydrofuran-5-yl)methanone?
cycloheptyl(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 102650976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).