[4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate

C18H32O4 — CID 101298142

IUPAC[4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
SMILESCCCCC(=O)OCC1CCC(COC(=O)CCCC)CC1
InChIInChI=1S/C18H32O4/c1-3-5-7-17(19)21-13-15-9-11-16(12-10-15)14-22-18(20)8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyGAPUADOKNRYBFV-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.26
Rot. Bonds10

About [4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate

[4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate (PubChem CID 101298142) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is [4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate.

Molecular Properties

Compound Name[4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
PubChem CID101298142
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name[4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
SMILESCCCCC(=O)OCC1CCC(COC(=O)CCCC)CC1
InChIInChI=1S/C18H32O4/c1-3-5-7-17(19)21-13-15-9-11-16(12-10-15)14-22-18(20)8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyGAPUADOKNRYBFV-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(hexanoyloxymethyl)cyclohexyl]methyl hexanoate
CID 101298146
cycloheptylmethyl hexanoate
CID 54549126
cyclobutylmethyl octanoate
CID 176885511
cycloheptylmethyl tridecanoate
CID 54548120
6-O-(cyclopentylmethyl) 1-O-pentadecyl hexanedioate
CID 91713281
13-cyclopropyltridecyl pentanoate
CID 54121613
[2-(hexanoyloxymethyl)cyclohexyl]methyl hexanoate
CID 101298144
[4-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxymethyl]cyclohexyl]methyl butanoate
CID 23596952
cyclopropylmethyl 3-sulfanylpropanoate
CID 107018207
oxan-4-ylmethyl (Z)-octadec-9-enoate
CID 146268302
[(1S,2S)-2-(octanoyloxymethyl)cyclohexyl]methyl octanoate
CID 10862202
[(2S,5S)-5-(iodomethyl)oxolan-2-yl]methyl pentanoate
CID 118183523

Frequently Asked Questions

What is the IUPAC name of [4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate?
The IUPAC name of [4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate (CID 101298142) is [4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate.
What is the SMILES notation for [4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate?
The canonical SMILES for [4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate is CCCCC(=O)OCC1CCC(COC(=O)CCCC)CC1.
What is the InChIKey of [4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate?
The InChIKey is GAPUADOKNRYBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-3-5-7-17(19)21-13-15-9-11-16(12-10-15)14-22-18(20)8-6-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of [4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate?
[4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate has a molecular weight of 312.45 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate is sourced from PubChem (CID 101298142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).