1-(1-methoxycycloheptyl)ethanone

C10H18O2 — CID 83225564

IUPAC1-(1-methoxycycloheptyl)ethanone
SMILESCOC1(C(C)=O)CCCCCC1
InChIInChI=1S/C10H18O2/c1-9(11)10(12-2)7-5-3-4-6-8-10/h3-8H2,1-2H3
InChIKeyRTQCTXSIZVOQCW-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.31
Rot. Bonds2

About 1-(1-methoxycycloheptyl)ethanone

1-(1-methoxycycloheptyl)ethanone (PubChem CID 83225564) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)ethanone.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)ethanone
PubChem CID83225564
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(1-methoxycycloheptyl)ethanone
SMILESCOC1(C(C)=O)CCCCCC1
InChIInChI=1S/C10H18O2/c1-9(11)10(12-2)7-5-3-4-6-8-10/h3-8H2,1-2H3
InChIKeyRTQCTXSIZVOQCW-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)ethanone?
The IUPAC name of 1-(1-methoxycycloheptyl)ethanone (CID 83225564) is 1-(1-methoxycycloheptyl)ethanone.
What is the SMILES notation for 1-(1-methoxycycloheptyl)ethanone?
The canonical SMILES for 1-(1-methoxycycloheptyl)ethanone is COC1(C(C)=O)CCCCCC1.
What is the InChIKey of 1-(1-methoxycycloheptyl)ethanone?
The InChIKey is RTQCTXSIZVOQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(11)10(12-2)7-5-3-4-6-8-10/h3-8H2,1-2H3.
What are the key properties of 1-(1-methoxycycloheptyl)ethanone?
1-(1-methoxycycloheptyl)ethanone has a molecular weight of 170.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycycloheptyl)ethanone is sourced from PubChem (CID 83225564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).