cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone

C17H28O2 — CID 106652284

IUPACcyclohepten-1-yl-(1-ethoxycycloheptyl)methanone
SMILESCCOC1(C(=O)C2=CCCCCC2)CCCCCC1
InChIInChI=1S/C17H28O2/c1-2-19-17(13-9-5-6-10-14-17)16(18)15-11-7-3-4-8-12-15/h11H,2-10,12-14H2,1H3
InChIKeyNBPOBPGVRIXGRH-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.58
Rot. Bonds4

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

cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone (PubChem CID 106652284) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-ethoxycycloheptyl)methanone
PubChem CID106652284
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Namecyclohepten-1-yl-(1-ethoxycycloheptyl)methanone
SMILESCCOC1(C(=O)C2=CCCCCC2)CCCCCC1
InChIInChI=1S/C17H28O2/c1-2-19-17(13-9-5-6-10-14-17)16(18)15-11-7-3-4-8-12-15/h11H,2-10,12-14H2,1H3
InChIKeyNBPOBPGVRIXGRH-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
2-(7-t-Butoxy-heptyl)-5-methoxy-cyclopent-2-enone
CID 545472
(5R)-5-methoxybicyclo[3.2.2]non-1(7)-ene-2,4-dione
CID 91400266
3-(4,6-Dimethylcyclohept-3-en-1-yl)-2-methyl-1-(oxolan-2-yl)prop-2-en-1-one
CID 123755519
Cyclohepta-1,4,6-trien-1-yl-(1-undec-10-enoxycyclohexyl)methanone;ethane
CID 143190708
5-Butoxy-3-(2-cycloheptylcyclopropyl)-5-methylcyclopent-2-en-1-one
CID 143468550
2-(4,8-Dimethyl-5-oxonon-7-enyl)-2-methyloxepan-3-one
CID 161958230
2,5-Diethyl-5-pentoxycyclohex-2-ene-1,4-dione
CID 174842943
2,5-Didecyl-5-pentoxycyclohex-2-ene-1,4-dione
CID 174842946
Cyclopenten-1-yl-(2-methyloxolan-2-yl)methanone
CID 80181350

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone?
The IUPAC name of cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone (CID 106652284) is cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone?
The canonical SMILES for cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone is CCOC1(C(=O)C2=CCCCCC2)CCCCCC1.
What is the InChIKey of cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone?
The InChIKey is NBPOBPGVRIXGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-19-17(13-9-5-6-10-14-17)16(18)15-11-7-3-4-8-12-15/h11H,2-10,12-14H2,1H3.
What are the key properties of cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone?
cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone has a molecular weight of 264.41 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(1-ethoxycycloheptyl)methanone is sourced from PubChem (CID 106652284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).