3-(cyclohexylmethoxy)-3-oxopropanoic acid

C10H16O4 — CID 19378623

IUPAC3-(cyclohexylmethoxy)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)OCC1CCCCC1
InChIInChI=1S/C10H16O4/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKeyGBEOSRFWDDDIPL-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.58
Rot. Bonds4

About 3-(cyclohexylmethoxy)-3-oxopropanoic acid

3-(cyclohexylmethoxy)-3-oxopropanoic acid (PubChem CID 19378623) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-3-oxopropanoic acid
PubChem CID19378623
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-(cyclohexylmethoxy)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)OCC1CCCCC1
InChIInChI=1S/C10H16O4/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKeyGBEOSRFWDDDIPL-UHFFFAOYSA-N
XLogP1.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

cycloheptylmethyl 2-(cyclopropylmethylamino)acetate
CID 114248573
2-(cyclohexylmethoxycarbonylamino)acetic acid
CID 66620693
cyclohexylmethyl 3-oxohex-5-enoate
CID 89082849
cyclopentylmethyl 2-(cyclopropylmethylamino)acetate
CID 66323510
cyclohexylmethyl but-3-enoate
CID 142409081
cycloheptylmethyl N-methylcarbamate
CID 57322822
[2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid
CID 123511485
cyclopropylmethyl 3-oxobutanoate
CID 10012135
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
2-(cyclopentylmethoxy)-2-oxoethanesulfonic acid
CID 129061918
cycloheptylmethyl hexanoate
CID 54549126
4-(cyclohexylmethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 59030191

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-3-oxopropanoic acid?
The IUPAC name of 3-(cyclohexylmethoxy)-3-oxopropanoic acid (CID 19378623) is 3-(cyclohexylmethoxy)-3-oxopropanoic acid.
What is the SMILES notation for 3-(cyclohexylmethoxy)-3-oxopropanoic acid?
The canonical SMILES for 3-(cyclohexylmethoxy)-3-oxopropanoic acid is O=C(O)CC(=O)OCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethoxy)-3-oxopropanoic acid?
The InChIKey is GBEOSRFWDDDIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12).
What are the key properties of 3-(cyclohexylmethoxy)-3-oxopropanoic acid?
3-(cyclohexylmethoxy)-3-oxopropanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-3-oxopropanoic acid is sourced from PubChem (CID 19378623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).