dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane

C10H15B — CID 174032473

IUPACdimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane
SMILESC=C/C=C\C(=C/C=C)B(C)C
InChIInChI=1S/C10H15B/c1-5-7-9-10(8-6-2)11(3)4/h5-9H,1-2H2,3-4H3/b9-7-,10-8+
InChIKeyXBEGZBPXUILPHP-FKJILZIQSA-N
MW146.04 g/mol
LogP3.13
Rot. Bonds4

About dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane

dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane (PubChem CID 174032473) has the molecular formula C10H15B and a molecular weight of 146.04 g/mol. Its IUPAC name is dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane.

Molecular Properties

Compound Namedimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane
PubChem CID174032473
Molecular FormulaC10H15B
Molecular Weight146.04 g/mol
Exact Mass146.13
IUPAC Namedimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane
SMILESC=C/C=C\C(=C/C=C)B(C)C
InChIInChI=1S/C10H15B/c1-5-7-9-10(8-6-2)11(3)4/h5-9H,1-2H2,3-4H3/b9-7-,10-8+
InChIKeyXBEGZBPXUILPHP-FKJILZIQSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.04
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
CID 145164686
(3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene
CID 170360355
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene
CID 139332360
ethane;[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]hydrazine
CID 143703879
(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
CID 174021215
(2Z)-N,N-dimethylpenta-2,4-dienamide;ethane
CID 143678790
(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide
CID 130205003
(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
CID 143006429
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane?
The IUPAC name of dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane (CID 174032473) is dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane.
What is the SMILES notation for dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane?
The canonical SMILES for dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane is C=C/C=C\C(=C/C=C)B(C)C.
What is the InChIKey of dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane?
The InChIKey is XBEGZBPXUILPHP-FKJILZIQSA-N. The full InChI is InChI=1S/C10H15B/c1-5-7-9-10(8-6-2)11(3)4/h5-9H,1-2H2,3-4H3/b9-7-,10-8+.
What are the key properties of dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane?
dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane has a molecular weight of 146.04 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane is sourced from PubChem (CID 174032473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).