[1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate

C18H32O4 — CID 101298139

IUPAC[1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
SMILESCCCCC(=O)OCC1(COC(=O)CCCC)CCCCC1
InChIInChI=1S/C18H32O4/c1-3-5-10-16(19)21-14-18(12-8-7-9-13-18)15-22-17(20)11-6-4-2/h3-15H2,1-2H3
InChIKeyQYRBSFZSBNFRPK-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.40
Rot. Bonds10

About [1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate

[1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate (PubChem CID 101298139) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is [1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate.

Molecular Properties

Compound Name[1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
PubChem CID101298139
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name[1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
SMILESCCCCC(=O)OCC1(COC(=O)CCCC)CCCCC1
InChIInChI=1S/C18H32O4/c1-3-5-10-16(19)21-14-18(12-8-7-9-13-18)15-22-17(20)11-6-4-2/h3-15H2,1-2H3
InChIKeyQYRBSFZSBNFRPK-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-sulfanylpentanoyloxymethyl)cyclohexyl]methyl 4-sulfanylpentanoate
CID 87479731
(5-ethyl-1,3-dioxan-5-yl)methyl pentanoate
CID 130343670
5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid
CID 150225145
methyl 8-(1-heptylcyclohexyl)octanoate
CID 118260042
(1-ethylcyclopentyl) pentanoate
CID 123172403
[1-[3-(dimethylamino)propanoyl]-4-(dodecanoyloxymethyl)piperidin-4-yl]methyl dodecanoate
CID 166979757
hydrazine;methyl pentanoate
CID 88709772
ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297
(1-heptylcyclooctyl)methyl prop-2-enoate
CID 141276074
2-[1-[(1-pentanoyloxyethoxycarbonylamino)methyl]cyclohexyl]acetic acid
CID 10132201
[(2R,5S)-2-ethynyl-5-methyloxolan-2-yl]methyl pentanoate
CID 167274839
spiro[5.5]undecan-5-ylmethyl octadecanoate
CID 22759869

Frequently Asked Questions

What is the IUPAC name of [1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate?
The IUPAC name of [1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate (CID 101298139) is [1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate.
What is the SMILES notation for [1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate?
The canonical SMILES for [1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate is CCCCC(=O)OCC1(COC(=O)CCCC)CCCCC1.
What is the InChIKey of [1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate?
The InChIKey is QYRBSFZSBNFRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-3-5-10-16(19)21-14-18(12-8-7-9-13-18)15-22-17(20)11-6-4-2/h3-15H2,1-2H3.
What are the key properties of [1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate?
[1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate has a molecular weight of 312.45 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate is sourced from PubChem (CID 101298139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).