2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate

C19H32O4 — CID 71034166

IUPAC2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
SMILESCCC(COC(=O)C1CCCCC1)COC(=O)C1CCCCC1
InChIInChI=1S/C19H32O4/c1-2-15(13-22-18(20)16-9-5-3-6-10-16)14-23-19(21)17-11-7-4-8-12-17/h15-17H,2-14H2,1H3
InChIKeyUCEXJIPKQXPBNV-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.26
Rot. Bonds7

About 2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate

2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate (PubChem CID 71034166) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is 2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
PubChem CID71034166
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
SMILESCCC(COC(=O)C1CCCCC1)COC(=O)C1CCCCC1
InChIInChI=1S/C19H32O4/c1-2-15(13-22-18(20)16-9-5-3-6-10-16)14-23-19(21)17-11-7-4-8-12-17/h15-17H,2-14H2,1H3
InChIKeyUCEXJIPKQXPBNV-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octyldodecyl cyclopentanecarboxylate
CID 141463974
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
CID 118048088
3-amino-4-[1-(cyclohexanecarbonyloxy)butan-2-ylamino]-4-oxobutanoic acid
CID 75018256
2-(oxiran-2-yl)pentyl cyclohexanecarboxylate
CID 141343450
1-O-(2-ethylhexyl) 4-O-propan-2-yl cyclohexane-1,4-dicarboxylate
CID 66984605
2,2-bis(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
CID 15607732
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
butan-2-yloxycarbonyl cyclohexanecarboxylate
CID 23002569
2-(1-sulfanylethoxy)ethyl cyclohexanecarboxylate
CID 147800283
1-O-(2-ethylhexyl) 3-O-hexyl cyclohexane-1,3-dicarboxylate
CID 66984438
2-methylpropyl cyclopropanecarboxylate
CID 549520

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate?
The IUPAC name of 2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate (CID 71034166) is 2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate.
What is the SMILES notation for 2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate?
The canonical SMILES for 2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate is CCC(COC(=O)C1CCCCC1)COC(=O)C1CCCCC1.
What is the InChIKey of 2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate?
The InChIKey is UCEXJIPKQXPBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-2-15(13-22-18(20)16-9-5-3-6-10-16)14-23-19(21)17-11-7-4-8-12-17/h15-17H,2-14H2,1H3.
What are the key properties of 2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate?
2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate has a molecular weight of 324.46 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate is sourced from PubChem (CID 71034166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).