diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane

C11H23BO — CID 134903619

IUPACdiethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane
SMILESCCB(CC)/C(CC)=C(\C)COC
InChIInChI=1S/C11H23BO/c1-6-11(10(4)9-13-5)12(7-2)8-3/h6-9H2,1-5H3/b11-10+
InChIKeyIIINMLLZQQXMJN-ZHACJKMWSA-N
MW182.12 g/mol
LogP3.43
Rot. Bonds6

About diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane

diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane (PubChem CID 134903619) has the molecular formula C11H23BO and a molecular weight of 182.12 g/mol. Its IUPAC name is diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane.

Molecular Properties

Compound Namediethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane
PubChem CID134903619
Molecular FormulaC11H23BO
Molecular Weight182.12 g/mol
Exact Mass182.18
IUPAC Namediethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane
SMILESCCB(CC)/C(CC)=C(\C)COC
InChIInChI=1S/C11H23BO/c1-6-11(10(4)9-13-5)12(7-2)8-3/h6-9H2,1-5H3/b11-10+
InChIKeyIIINMLLZQQXMJN-ZHACJKMWSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Borane, diethyl[1-ethyl-2-(methoxymethyl)-1-butenyl]-, (Z)-
CID 5366257
2,2,3,4-Tetraethyl-1-methyl-1-oxonia-2-boranuidacyclopent-3-ene
CID 134903557
[(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane
CID 134903587
2,2,3-Triethyl-1,4-dimethyl-1-oxonia-2-boranuidacyclopent-3-ene
CID 134978630
diethyl-[(E)-4-(methoxymethyl)hex-3-en-3-yl]borane
CID 101279186
4-Methoxy-2,3-dimethylpent-2-ene
CID 21134687
3-Ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene
CID 56978434
2-Methoxy-3,4-dimethylhex-3-ene
CID 123765053
1-Methoxy-2,3-dimethylhept-2-ene
CID 152367169
methane;(Z)-1-methoxy-2-methylpent-2-ene
CID 159187184
Ethane;4-ethoxy-2,3-dimethylpent-2-ene
CID 168259873
ethane;(Z)-1-methoxy-3-methylpent-2-ene
CID 168979167

Frequently Asked Questions

What is the IUPAC name of diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane?
The IUPAC name of diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane (CID 134903619) is diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane.
What is the SMILES notation for diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane?
The canonical SMILES for diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane is CCB(CC)/C(CC)=C(\C)COC.
What is the InChIKey of diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane?
The InChIKey is IIINMLLZQQXMJN-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H23BO/c1-6-11(10(4)9-13-5)12(7-2)8-3/h6-9H2,1-5H3/b11-10+.
What are the key properties of diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane?
diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane has a molecular weight of 182.12 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(Z)-1-methoxy-2-methylpent-2-en-3-yl]borane is sourced from PubChem (CID 134903619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).