tetradecan-3-yl cyclobutanecarboxylate

C19H36O2 — CID 544011

IUPACtetradecan-3-yl cyclobutanecarboxylate
SMILESCCCCCCCCCCCC(CC)OC(=O)C1CCC1
InChIInChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-16-18(4-2)21-19(20)17-14-13-15-17/h17-18H,3-16H2,1-2H3
InChIKeyALCZMJKWIXEEDY-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.03
Rot. Bonds13

About tetradecan-3-yl cyclobutanecarboxylate

tetradecan-3-yl cyclobutanecarboxylate (PubChem CID 544011) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is tetradecan-3-yl cyclobutanecarboxylate.

Molecular Properties

Compound Nametetradecan-3-yl cyclobutanecarboxylate
PubChem CID544011
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Nametetradecan-3-yl cyclobutanecarboxylate
SMILESCCCCCCCCCCCC(CC)OC(=O)C1CCC1
InChIInChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-16-18(4-2)21-19(20)17-14-13-15-17/h17-18H,3-16H2,1-2H3
InChIKeyALCZMJKWIXEEDY-UHFFFAOYSA-N
XLogP6.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tetradecan-3-yl cyclobutanecarboxylate 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

tetradecan-3-yl cyclopropanecarboxylate
CID 549496
tridecan-3-yl cyclopropanecarboxylate
CID 549494
3-heptadecan-8-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262281
3-octadecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262619
3-pentadecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262541
4-heptadecan-6-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262448
4-dodecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262981
2-pentadecan-3-yloxycarbonylcyclohexane-1-carboxylic acid
CID 69472547
hexadecan-8-yl piperidine-3-carboxylate
CID 129288016
3-(17-methyloctadecan-9-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262646
3-(2-methylhenicosan-11-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262953
4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262823

Frequently Asked Questions

What is the IUPAC name of tetradecan-3-yl cyclobutanecarboxylate?
The IUPAC name of tetradecan-3-yl cyclobutanecarboxylate (CID 544011) is tetradecan-3-yl cyclobutanecarboxylate.
What is the SMILES notation for tetradecan-3-yl cyclobutanecarboxylate?
The canonical SMILES for tetradecan-3-yl cyclobutanecarboxylate is CCCCCCCCCCCC(CC)OC(=O)C1CCC1.
What is the InChIKey of tetradecan-3-yl cyclobutanecarboxylate?
The InChIKey is ALCZMJKWIXEEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-16-18(4-2)21-19(20)17-14-13-15-17/h17-18H,3-16H2,1-2H3.
What are the key properties of tetradecan-3-yl cyclobutanecarboxylate?
tetradecan-3-yl cyclobutanecarboxylate has a molecular weight of 296.50 g/mol, XLogP of 6.03, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecan-3-yl cyclobutanecarboxylate is sourced from PubChem (CID 544011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).