dimethoxy-[(Z)-non-2-en-4-ynyl]borane

C11H19BO2 — CID 135083091

IUPACdimethoxy-[(Z)-non-2-en-4-ynyl]borane
SMILESCCCCC#C/C=C\CB(OC)OC
InChIInChI=1S/C11H19BO2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h9-10H,4-6,11H2,1-3H3/b10-9-
InChIKeyFTNFYGMLVSCCKO-KTKRTIGZSA-N
MW194.08 g/mol
LogP2.52
Rot. Bonds6

About dimethoxy-[(Z)-non-2-en-4-ynyl]borane

dimethoxy-[(Z)-non-2-en-4-ynyl]borane (PubChem CID 135083091) has the molecular formula C11H19BO2 and a molecular weight of 194.08 g/mol. Its IUPAC name is dimethoxy-[(Z)-non-2-en-4-ynyl]borane.

Molecular Properties

Compound Namedimethoxy-[(Z)-non-2-en-4-ynyl]borane
PubChem CID135083091
Molecular FormulaC11H19BO2
Molecular Weight194.08 g/mol
Exact Mass194.15
IUPAC Namedimethoxy-[(Z)-non-2-en-4-ynyl]borane
SMILESCCCCC#C/C=C\CB(OC)OC
InChIInChI=1S/C11H19BO2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h9-10H,4-6,11H2,1-3H3/b10-9-
InChIKeyFTNFYGMLVSCCKO-KTKRTIGZSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.08
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-undec-3-en-5-yne
CID 5367449
(E)-non-2-en-4-yne
CID 5367387
(Z)-heptadec-3-en-5-yne
CID 5367448
(Z)-heptadec-8-en-6-yne
CID 101260338
1-iodonon-1-en-3-yne
CID 71425479
tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane
CID 23240903
(2E,4Z)-undeca-2,4-dien-6-yne
CID 102094475
dec-2-en-4-yne
CID 54142868
(E)-1,1-diethoxynon-2-en-4-yne
CID 11127544
methyl (Z)-octadec-11-en-9,13-diynoate
CID 14921637
(E)-tridec-4-en-6-yn-1-ol
CID 15420486
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427

Frequently Asked Questions

What is the IUPAC name of dimethoxy-[(Z)-non-2-en-4-ynyl]borane?
The IUPAC name of dimethoxy-[(Z)-non-2-en-4-ynyl]borane (CID 135083091) is dimethoxy-[(Z)-non-2-en-4-ynyl]borane.
What is the SMILES notation for dimethoxy-[(Z)-non-2-en-4-ynyl]borane?
The canonical SMILES for dimethoxy-[(Z)-non-2-en-4-ynyl]borane is CCCCC#C/C=C\CB(OC)OC.
What is the InChIKey of dimethoxy-[(Z)-non-2-en-4-ynyl]borane?
The InChIKey is FTNFYGMLVSCCKO-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H19BO2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h9-10H,4-6,11H2,1-3H3/b10-9-.
What are the key properties of dimethoxy-[(Z)-non-2-en-4-ynyl]borane?
dimethoxy-[(Z)-non-2-en-4-ynyl]borane has a molecular weight of 194.08 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[(Z)-non-2-en-4-ynyl]borane is sourced from PubChem (CID 135083091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).