cyclohepten-1-yl-(1-methoxycyclopentyl)methanone

C14H22O2 — CID 106652202

IUPACcyclohepten-1-yl-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)C2=CCCCCC2)CCCC1
InChIInChI=1S/C14H22O2/c1-16-14(10-6-7-11-14)13(15)12-8-4-2-3-5-9-12/h8H,2-7,9-11H2,1H3
InChIKeyCSXWBITYRKRRMC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.41
Rot. Bonds3

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

cyclohepten-1-yl-(1-methoxycyclopentyl)methanone (PubChem CID 106652202) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-methoxycyclopentyl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-methoxycyclopentyl)methanone
PubChem CID106652202
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namecyclohepten-1-yl-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)C2=CCCCCC2)CCCC1
InChIInChI=1S/C14H22O2/c1-16-14(10-6-7-11-14)13(15)12-8-4-2-3-5-9-12/h8H,2-7,9-11H2,1H3
InChIKeyCSXWBITYRKRRMC-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

cycloocten-1-yl-(1-methoxycyclohexyl)methanone
CID 106652256
cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone
CID 106652262
cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone
CID 106652265
methyl cyclododecene-1-carboxylate
CID 54564642
cyclohexen-1-yl-(1-hydroxycyclopentyl)methanone
CID 106652335
cyclohexen-1-yl-[1-(dimethylamino)cyclopentyl]methanone
CID 106652002
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 106655849
cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 106655318
cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 106652005
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
ethyl cycloundecene-1-carboxylate
CID 154164177

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-methoxycyclopentyl)methanone?
The IUPAC name of cyclohepten-1-yl-(1-methoxycyclopentyl)methanone (CID 106652202) is cyclohepten-1-yl-(1-methoxycyclopentyl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(1-methoxycyclopentyl)methanone?
The canonical SMILES for cyclohepten-1-yl-(1-methoxycyclopentyl)methanone is COC1(C(=O)C2=CCCCCC2)CCCC1.
What is the InChIKey of cyclohepten-1-yl-(1-methoxycyclopentyl)methanone?
The InChIKey is CSXWBITYRKRRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-16-14(10-6-7-11-14)13(15)12-8-4-2-3-5-9-12/h8H,2-7,9-11H2,1H3.
What are the key properties of cyclohepten-1-yl-(1-methoxycyclopentyl)methanone?
cyclohepten-1-yl-(1-methoxycyclopentyl)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 cyclohepten-1-yl-(1-methoxycyclopentyl)methanone is sourced from PubChem (CID 106652202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).