(1-methoxycycloheptyl)-(oxan-4-yl)methanone

C14H24O3 — CID 116750496

IUPAC(1-methoxycycloheptyl)-(oxan-4-yl)methanone
SMILESCOC1(C(=O)C2CCOCC2)CCCCCC1
InChIInChI=1S/C14H24O3/c1-16-14(8-4-2-3-5-9-14)13(15)12-6-10-17-11-7-12/h12H,2-11H2,1H3
InChIKeyCMOCKXXNKZDAIC-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.72
Rot. Bonds3

About (1-methoxycycloheptyl)-(oxan-4-yl)methanone

(1-methoxycycloheptyl)-(oxan-4-yl)methanone (PubChem CID 116750496) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-(oxan-4-yl)methanone
PubChem CID116750496
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(1-methoxycycloheptyl)-(oxan-4-yl)methanone
SMILESCOC1(C(=O)C2CCOCC2)CCCCCC1
InChIInChI=1S/C14H24O3/c1-16-14(8-4-2-3-5-9-14)13(15)12-6-10-17-11-7-12/h12H,2-11H2,1H3
InChIKeyCMOCKXXNKZDAIC-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone
CID 131001089
cyclobutyl-(1-methoxycyclobutyl)methanone
CID 116706787
[1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone
CID 79067927
(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116748384
(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
[1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone
CID 79070861
1-(1-methoxycycloheptyl)ethanone
CID 83225564
1-(oxane-4-carbonyl)cyclobutane-1-carboxylic acid
CID 116921887
(1-morpholin-4-ylcyclopentyl)-(oxan-4-yl)methanone
CID 79059005
1-(4-methoxyoxan-4-yl)-2-(oxan-4-yl)ethanone
CID 116748604
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116747845
1-(1-methoxycyclohexyl)prop-2-yn-1-one
CID 116748025

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-(oxan-4-yl)methanone?
The IUPAC name of (1-methoxycycloheptyl)-(oxan-4-yl)methanone (CID 116750496) is (1-methoxycycloheptyl)-(oxan-4-yl)methanone.
What is the SMILES notation for (1-methoxycycloheptyl)-(oxan-4-yl)methanone?
The canonical SMILES for (1-methoxycycloheptyl)-(oxan-4-yl)methanone is COC1(C(=O)C2CCOCC2)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-(oxan-4-yl)methanone?
The InChIKey is CMOCKXXNKZDAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-16-14(8-4-2-3-5-9-14)13(15)12-6-10-17-11-7-12/h12H,2-11H2,1H3.
What are the key properties of (1-methoxycycloheptyl)-(oxan-4-yl)methanone?
(1-methoxycycloheptyl)-(oxan-4-yl)methanone has a molecular weight of 240.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-(oxan-4-yl)methanone is sourced from PubChem (CID 116750496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).