hexadecyl cyclopropanecarboxylate;silver

C20H38AgO2 — CID 87290012

IUPAChexadecyl cyclopropanecarboxylate;silver
SMILESCCCCCCCCCCCCCCCCOC(=O)C1CC1.[Ag]
InChIInChI=1S/C20H38O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-20(21)19-16-17-19;/h19H,2-18H2,1H3;
InChIKeyANTCGNVCDRVADJ-UHFFFAOYSA-N
MW418.39 g/mol
LogP6.42
Rot. Bonds16

About hexadecyl cyclopropanecarboxylate;silver

hexadecyl cyclopropanecarboxylate;silver (PubChem CID 87290012) has the molecular formula C20H38AgO2 and a molecular weight of 418.39 g/mol. Its IUPAC name is hexadecyl cyclopropanecarboxylate;silver.

Molecular Properties

Compound Namehexadecyl cyclopropanecarboxylate;silver
PubChem CID87290012
Molecular FormulaC20H38AgO2
Molecular Weight418.39 g/mol
Exact Mass417.19
IUPAC Namehexadecyl cyclopropanecarboxylate;silver
SMILESCCCCCCCCCCCCCCCCOC(=O)C1CC1.[Ag]
InChIInChI=1S/C20H38O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-20(21)19-16-17-19;/h19H,2-18H2,1H3;
InChIKeyANTCGNVCDRVADJ-UHFFFAOYSA-N
XLogP6.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.39
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
4-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983917
4-heptoxycarbonylcyclohexane-1-carboxylic acid
CID 66984396
4-tridecoxycarbonylcyclohexane-1-carboxylic acid
CID 141262604
nonyl cyclopentanecarboxylate
CID 575427
4-O-(9-methyldecyl) 1-O-undecyl cyclohexane-1,4-dicarboxylate
CID 66984273
4-O-(9-methyldecyl) 1-O-pentyl cyclohexane-1,4-dicarboxylate
CID 66983804
4-O-propan-2-yl 1-O-undecyl cyclohexane-1,4-dicarboxylate
CID 90870155
4-O-propan-2-yl 1-O-tridecyl cyclohexane-1,4-dicarboxylate
CID 91412233
4-O-(8-methylnonyl) 1-O-pentyl cyclohexane-1,4-dicarboxylate
CID 66983845
4-O-tert-butyl 1-O-dodecyl cyclohexane-1,4-dicarboxylate
CID 66983847

Frequently Asked Questions

What is the IUPAC name of hexadecyl cyclopropanecarboxylate;silver?
The IUPAC name of hexadecyl cyclopropanecarboxylate;silver (CID 87290012) is hexadecyl cyclopropanecarboxylate;silver.
What is the SMILES notation for hexadecyl cyclopropanecarboxylate;silver?
The canonical SMILES for hexadecyl cyclopropanecarboxylate;silver is CCCCCCCCCCCCCCCCOC(=O)C1CC1.[Ag].
What is the InChIKey of hexadecyl cyclopropanecarboxylate;silver?
The InChIKey is ANTCGNVCDRVADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-20(21)19-16-17-19;/h19H,2-18H2,1H3;.
What are the key properties of hexadecyl cyclopropanecarboxylate;silver?
hexadecyl cyclopropanecarboxylate;silver has a molecular weight of 418.39 g/mol, XLogP of 6.42, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl cyclopropanecarboxylate;silver is sourced from PubChem (CID 87290012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).