methyl 3-cyclohexyloxybutanoate

C11H20O3 — CID 43612104

IUPACmethyl 3-cyclohexyloxybutanoate
SMILESCOC(=O)CC(C)OC1CCCCC1
InChIInChI=1S/C11H20O3/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyNQKDZQMITQBGJH-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.29
Rot. Bonds4

About methyl 3-cyclohexyloxybutanoate

methyl 3-cyclohexyloxybutanoate (PubChem CID 43612104) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-cyclohexyloxybutanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyloxybutanoate
PubChem CID43612104
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl 3-cyclohexyloxybutanoate
SMILESCOC(=O)CC(C)OC1CCCCC1
InChIInChI=1S/C11H20O3/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyNQKDZQMITQBGJH-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-(3,3-difluorocyclobutyl)oxybutanoate
CID 167481855
4-cycloheptyloxypentanehydrazide
CID 63571096
methyl 4,4-dicyclopentyloxy-2-methylidenebutanoate
CID 137404848
N-(2-cycloheptyloxypropyl)cyclopropanamine
CID 62460037
methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate
CID 164888049
methyl 3-(cyclopentylmethylamino)butanoate
CID 43536965
methyl 3-cycloheptyl-4-hydroxybutanoate
CID 105467921
methyl 4-amino-3-cyclohexylbutanoate
CID 66098715
bis(2-cyclohexyloxypropyl) hydrogen phosphate
CID 140502091
methyl (2S)-2-cyclobutyloxypropanoate
CID 103337973
bis(methyl 3-cyclopentylbutanoate);bis(methyl 3-cyclopentyl-3-hydroxypropanoate)
CID 162293846
diethyl 2-cyclohexyloxybutanedioate
CID 139989318

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyloxybutanoate?
The IUPAC name of methyl 3-cyclohexyloxybutanoate (CID 43612104) is methyl 3-cyclohexyloxybutanoate.
What is the SMILES notation for methyl 3-cyclohexyloxybutanoate?
The canonical SMILES for methyl 3-cyclohexyloxybutanoate is COC(=O)CC(C)OC1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyloxybutanoate?
The InChIKey is NQKDZQMITQBGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of methyl 3-cyclohexyloxybutanoate?
methyl 3-cyclohexyloxybutanoate has a molecular weight of 200.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyloxybutanoate is sourced from PubChem (CID 43612104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).