cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate

C17H27CsO2 — CID 140796846

IUPACcesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate
SMILESO=C([O-])CCCCCCCCCC1CC2C=CC1C2.[Cs+]
InChIInChI=1S/C17H28O2.Cs/c18-17(19)9-7-5-3-1-2-4-6-8-15-12-14-10-11-16(15)13-14;/h10-11,14-16H,1-9,12-13H2,(H,18,19);/q;+1/p-1
InChIKeyTXVOOKNVSSDNEB-UHFFFAOYSA-M
MW396.31 g/mol
LogP0.46
Rot. Bonds10

About cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate

cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate (PubChem CID 140796846) has the molecular formula C17H27CsO2 and a molecular weight of 396.31 g/mol. Its IUPAC name is cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate.

Molecular Properties

Compound Namecesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate
PubChem CID140796846
Molecular FormulaC17H27CsO2
Molecular Weight396.31 g/mol
Exact Mass396.11
IUPAC Namecesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate
SMILESO=C([O-])CCCCCCCCCC1CC2C=CC1C2.[Cs+]
InChIInChI=1S/C17H28O2.Cs/c18-17(19)9-7-5-3-1-2-4-6-8-15-12-14-10-11-16(15)13-14;/h10-11,14-16H,1-9,12-13H2,(H,18,19);/q;+1/p-1
InChIKeyTXVOOKNVSSDNEB-UHFFFAOYSA-M
XLogP0.46
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one
CID 59748068
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270
7-(2-bicyclo[2.2.1]hept-5-enyl)heptyl acetate
CID 59748148
8-(2-bicyclo[2.2.1]hept-5-enyl)octanal
CID 59748238
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
1-[8-(2-bicyclo[2.2.1]hept-5-enyl)octyl]pyrrole-2,5-dione
CID 21431928
8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol
CID 18413318
5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
5-(6,6,6-trifluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 135202055
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323

Frequently Asked Questions

What is the IUPAC name of cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate?
The IUPAC name of cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate (CID 140796846) is cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate.
What is the SMILES notation for cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate?
The canonical SMILES for cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate is O=C([O-])CCCCCCCCCC1CC2C=CC1C2.[Cs+].
What is the InChIKey of cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate?
The InChIKey is TXVOOKNVSSDNEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H28O2.Cs/c18-17(19)9-7-5-3-1-2-4-6-8-15-12-14-10-11-16(15)13-14;/h10-11,14-16H,1-9,12-13H2,(H,18,19);/q;+1/p-1.
What are the key properties of cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate?
cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate has a molecular weight of 396.31 g/mol, XLogP of 0.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate is sourced from PubChem (CID 140796846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).