methyl 4-cyclohexylpentanoate

C12H22O2 — CID 174916606

IUPACmethyl 4-cyclohexylpentanoate
SMILESCOC(=O)CCC(C)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-10(8-9-12(13)14-2)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeySENWDIDWMXTRAL-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.16
Rot. Bonds4

About methyl 4-cyclohexylpentanoate

methyl 4-cyclohexylpentanoate (PubChem CID 174916606) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is methyl 4-cyclohexylpentanoate.

Molecular Properties

Compound Namemethyl 4-cyclohexylpentanoate
PubChem CID174916606
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namemethyl 4-cyclohexylpentanoate
SMILESCOC(=O)CCC(C)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-10(8-9-12(13)14-2)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeySENWDIDWMXTRAL-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-cyclohexyl-4-hydroxybutanoate
CID 18981365
4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate
CID 162169396
bis(methyl 3-cyclopentylbutanoate);bis(methyl 3-cyclopentyl-3-hydroxypropanoate)
CID 162293846
methyl 4-(1-cyclopentylethylamino)butanoate
CID 62632824
methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate
CID 115123592
5-cyclopentylhexanoic acid
CID 69016722
methyl (4R)-4-amino-4-cyclopropylbutanoate
CID 169118998
dimethyl 4-methylheptanedioate
CID 521222
methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
5-cyclohexylhex-1-en-2-ylcyclohexane
CID 57058746
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate
CID 115123560

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclohexylpentanoate?
The IUPAC name of methyl 4-cyclohexylpentanoate (CID 174916606) is methyl 4-cyclohexylpentanoate.
What is the SMILES notation for methyl 4-cyclohexylpentanoate?
The canonical SMILES for methyl 4-cyclohexylpentanoate is COC(=O)CCC(C)C1CCCCC1.
What is the InChIKey of methyl 4-cyclohexylpentanoate?
The InChIKey is SENWDIDWMXTRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(8-9-12(13)14-2)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 4-cyclohexylpentanoate?
methyl 4-cyclohexylpentanoate has a molecular weight of 198.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclohexylpentanoate is sourced from PubChem (CID 174916606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).