di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane

C14H27BO2 — CID 11550447

IUPACdi(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane
SMILESC=CC/C(=C\B(OC(C)C)OC(C)C)CCC
InChIInChI=1S/C14H27BO2/c1-7-9-14(10-8-2)11-15(16-12(3)4)17-13(5)6/h7,11-13H,1,8-10H2,2-6H3/b14-11+
InChIKeyFIUDUXBWKVXDEF-SDNWHVSQSA-N
MW238.18 g/mol
LogP4.17
Rot. Bonds9

About di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane

di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane (PubChem CID 11550447) has the molecular formula C14H27BO2 and a molecular weight of 238.18 g/mol. Its IUPAC name is di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane.

Molecular Properties

Compound Namedi(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane
PubChem CID11550447
Molecular FormulaC14H27BO2
Molecular Weight238.18 g/mol
Exact Mass238.21
IUPAC Namedi(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane
SMILESC=CC/C(=C\B(OC(C)C)OC(C)C)CCC
InChIInChI=1S/C14H27BO2/c1-7-9-14(10-8-2)11-15(16-12(3)4)17-13(5)6/h7,11-13H,1,8-10H2,2-6H3/b14-11+
InChIKeyFIUDUXBWKVXDEF-SDNWHVSQSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-2-methylpenta-1,4-dienyl]-di(propan-2-yloxy)borane
CID 102168063
(4Z)-4-ethylidenehept-1-ene
CID 12841273
4-propylundeca-1,4-diene
CID 175604845
(4E)-4-propylundeca-1,4-diene
CID 134903488
(5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine
CID 167108317
4-prop-2-enylocta-1,4-diene
CID 173317146
azane;2-methyl-4-propylhept-3-ene;hydrochloride
CID 175053238
(5Z)-2-ethenyl-N-[[(1E)-2-propylpenta-1,4-dienoxy]methyl]octa-2,3,5-trien-1-amine
CID 167074200
(Z)-5-but-3-en-2-yl-6-prop-2-enyldec-5-ene
CID 134993838
di(butan-2-yloxy)-ethenylborane
CID 151383682
4-ethylidenedeca-1,7-diene
CID 72650230
N-nonadec-1-en-4-ylidenehydroxylamine
CID 174804170

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane?
The IUPAC name of di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane (CID 11550447) is di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane.
What is the SMILES notation for di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane?
The canonical SMILES for di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane is C=CC/C(=C\B(OC(C)C)OC(C)C)CCC.
What is the InChIKey of di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane?
The InChIKey is FIUDUXBWKVXDEF-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H27BO2/c1-7-9-14(10-8-2)11-15(16-12(3)4)17-13(5)6/h7,11-13H,1,8-10H2,2-6H3/b14-11+.
What are the key properties of di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane?
di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane has a molecular weight of 238.18 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)-[(1Z)-2-propylpenta-1,4-dienyl]borane is sourced from PubChem (CID 11550447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).