9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane

C24H44B- — CID 135048341

IUPAC9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane
SMILESCCCCCC/C(=C\[B-]1(C2CCCCC2)C2CCCC1CCC2)CC
InChIInChI=1S/C24H44B/c1-3-5-6-8-13-21(4-2)20-25(22-14-9-7-10-15-22)23-16-11-17-24(25)19-12-18-23/h20,22-24H,3-19H2,1-2H3/q-1/b21-20-
InChIKeySVTHQOQSFKXAEK-MRCUWXFGSA-N
MW343.43 g/mol
LogP8.72
Rot. Bonds8

About 9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane

9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane (PubChem CID 135048341) has the molecular formula C24H44B- and a molecular weight of 343.43 g/mol. Its IUPAC name is 9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane
PubChem CID135048341
Molecular FormulaC24H44B-
Molecular Weight343.43 g/mol
Exact Mass343.35
IUPAC Name9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane
SMILESCCCCCC/C(=C\[B-]1(C2CCCCC2)C2CCCC1CCC2)CC
InChIInChI=1S/C24H44B/c1-3-5-6-8-13-21(4-2)20-25(22-14-9-7-10-15-22)23-16-11-17-24(25)19-12-18-23/h20,22-24H,3-19H2,1-2H3/q-1/b21-20-
InChIKeySVTHQOQSFKXAEK-MRCUWXFGSA-N
XLogP8.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-propylhept-1-enyl]cyclopentane
CID 134978984
1-cyclohexyldecan-1-one
CID 63409715
6-ethyltridec-6-ene
CID 123238287
5-ethyldodec-4-ene
CID 123814834
(E)-3-ethyldec-2-en-1-ol
CID 118599698
(Z)-7-ethyltetradec-7-ene
CID 134978641
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
6-ethylidenehexadecane
CID 169207706
7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene
CID 90977490
1-cyclobutyldodecan-1-one
CID 115811550
cyclopropane;octadecane
CID 174865519

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane?
The IUPAC name of 9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane (CID 135048341) is 9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane?
The canonical SMILES for 9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane is CCCCCC/C(=C\[B-]1(C2CCCCC2)C2CCCC1CCC2)CC.
What is the InChIKey of 9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane?
The InChIKey is SVTHQOQSFKXAEK-MRCUWXFGSA-N. The full InChI is InChI=1S/C24H44B/c1-3-5-6-8-13-21(4-2)20-25(22-14-9-7-10-15-22)23-16-11-17-24(25)19-12-18-23/h20,22-24H,3-19H2,1-2H3/q-1/b21-20-.
What are the key properties of 9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane?
9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane has a molecular weight of 343.43 g/mol, XLogP of 8.72, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-9-[(Z)-2-ethyloct-1-enyl]-9-boranuidabicyclo[3.3.1]nonane is sourced from PubChem (CID 135048341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).