3-cyclohexyloxycarbonylheptanoic acid

C14H24O4 — CID 175582119

IUPAC3-cyclohexyloxycarbonylheptanoic acid
SMILESCCCCC(CC(=O)O)C(=O)OC1CCCCC1
InChIInChI=1S/C14H24O4/c1-2-3-7-11(10-13(15)16)14(17)18-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyKQXDGXUQOZBIGH-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.14
Rot. Bonds7

About 3-cyclohexyloxycarbonylheptanoic acid

3-cyclohexyloxycarbonylheptanoic acid (PubChem CID 175582119) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-cyclohexyloxycarbonylheptanoic acid.

Molecular Properties

Compound Name3-cyclohexyloxycarbonylheptanoic acid
PubChem CID175582119
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name3-cyclohexyloxycarbonylheptanoic acid
SMILESCCCCC(CC(=O)O)C(=O)OC1CCCCC1
InChIInChI=1S/C14H24O4/c1-2-3-7-11(10-13(15)16)14(17)18-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyKQXDGXUQOZBIGH-UHFFFAOYSA-N
XLogP3.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174570245
cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate
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cyclohexyl butanoate;2-ethylhexanoic acid;zinc
CID 175558341
3-propan-2-yloxycarbonylheptanoic acid
CID 139963365
cyclohexyl 2-(aminomethyl)butanoate
CID 65220233
cyclohexyl carbonate;tetrabutylphosphanium
CID 66627330
cyclopentyl (2S)-3,3-dimethyl-2-[[(2R)-2-(methylaminomethyl)hexanoyl]amino]butanoate
CID 59087264
(1-cyclohexyloxy-1-oxododecan-2-yl)-trimethylazanium bromide
CID 51059954
1-cycloheptyloxy-3-ethylheptan-2-one
CID 134575358
cyclohexyl 3-dodecylheptadecanoate
CID 23148804
cyclopentyl 2-aminopentanoate
CID 61278203
3-[(2-methylpropan-2-yl)oxycarbonyl]undecanoic acid
CID 15500493

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxycarbonylheptanoic acid?
The IUPAC name of 3-cyclohexyloxycarbonylheptanoic acid (CID 175582119) is 3-cyclohexyloxycarbonylheptanoic acid.
What is the SMILES notation for 3-cyclohexyloxycarbonylheptanoic acid?
The canonical SMILES for 3-cyclohexyloxycarbonylheptanoic acid is CCCCC(CC(=O)O)C(=O)OC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxycarbonylheptanoic acid?
The InChIKey is KQXDGXUQOZBIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-2-3-7-11(10-13(15)16)14(17)18-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of 3-cyclohexyloxycarbonylheptanoic acid?
3-cyclohexyloxycarbonylheptanoic acid has a molecular weight of 256.34 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxycarbonylheptanoic acid is sourced from PubChem (CID 175582119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).