methyl 4-cyclohexyl-4-hydroxybutanoate

C11H20O3 — CID 18981365

IUPACmethyl 4-cyclohexyl-4-hydroxybutanoate
SMILESCOC(=O)CCC(O)C1CCCCC1
InChIInChI=1S/C11H20O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3
InChIKeyCINCEKMTODNFAU-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds4

About methyl 4-cyclohexyl-4-hydroxybutanoate

methyl 4-cyclohexyl-4-hydroxybutanoate (PubChem CID 18981365) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 4-cyclohexyl-4-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-cyclohexyl-4-hydroxybutanoate
PubChem CID18981365
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl 4-cyclohexyl-4-hydroxybutanoate
SMILESCOC(=O)CCC(O)C1CCCCC1
InChIInChI=1S/C11H20O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3
InChIKeyCINCEKMTODNFAU-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-cyclohexylpentanoate
CID 174916606
propyl 4-cyclopentyl-4-hydroxybutanoate
CID 62071388
bis(methyl 3-cyclopentylbutanoate);bis(methyl 3-cyclopentyl-3-hydroxypropanoate)
CID 162293846
methyl 3-cycloheptyl-4-hydroxybutanoate
CID 105467921
methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate
CID 115123560
methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate
CID 115123592
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
methyl (4R)-4-amino-4-cyclopropylbutanoate
CID 169118998
tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
CID 129387440
1-cyclohexylpentane-1,4-diol
CID 11446772
methyl 4-cyclooctyl-4-oxobutanoate
CID 155214467
cyclohexanol;dimethyl hexanedioate
CID 19805859

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclohexyl-4-hydroxybutanoate?
The IUPAC name of methyl 4-cyclohexyl-4-hydroxybutanoate (CID 18981365) is methyl 4-cyclohexyl-4-hydroxybutanoate.
What is the SMILES notation for methyl 4-cyclohexyl-4-hydroxybutanoate?
The canonical SMILES for methyl 4-cyclohexyl-4-hydroxybutanoate is COC(=O)CCC(O)C1CCCCC1.
What is the InChIKey of methyl 4-cyclohexyl-4-hydroxybutanoate?
The InChIKey is CINCEKMTODNFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3.
What are the key properties of methyl 4-cyclohexyl-4-hydroxybutanoate?
methyl 4-cyclohexyl-4-hydroxybutanoate has a molecular weight of 200.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclohexyl-4-hydroxybutanoate is sourced from PubChem (CID 18981365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).