dimethoxy(methyl)borane;ethane;2-methylprop-1-ene

C11H29BO2 — CID 157498459

IUPACdimethoxy(methyl)borane;ethane;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.COB(C)OC
InChIInChI=1S/C4H8.C3H9BO2.2C2H6/c1-4(2)3;1-4(5-2)6-3;2*1-2/h1H2,2-3H3;1-3H3;2*1-2H3
InChIKeyBYCRBONEYSIWJX-UHFFFAOYSA-N
MW204.16 g/mol
LogP4.03
Rot. Bonds2

About dimethoxy(methyl)borane;ethane;2-methylprop-1-ene

dimethoxy(methyl)borane;ethane;2-methylprop-1-ene (PubChem CID 157498459) has the molecular formula C11H29BO2 and a molecular weight of 204.16 g/mol. Its IUPAC name is dimethoxy(methyl)borane;ethane;2-methylprop-1-ene.

Molecular Properties

Compound Namedimethoxy(methyl)borane;ethane;2-methylprop-1-ene
PubChem CID157498459
Molecular FormulaC11H29BO2
Molecular Weight204.16 g/mol
Exact Mass204.23
IUPAC Namedimethoxy(methyl)borane;ethane;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.COB(C)OC
InChIInChI=1S/C4H8.C3H9BO2.2C2H6/c1-4(2)3;1-4(5-2)6-3;2*1-2/h1H2,2-3H3;1-3H3;2*1-2H3
InChIKeyBYCRBONEYSIWJX-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 54.03
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

ethane;tris(2-methylprop-1-ene)
CID 144520420
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
2-bromoethoxy-methoxy-methylborane
CID 125471518
lithium;hydride;2-methylprop-1-ene
CID 174274839
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
butane;ethane;2-methylprop-1-ene
CID 142168819
1-methoxyethenethiolate
CID 134871761
fluoromethane;2-methoxyprop-1-ene
CID 143721713
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
bis(2-methylprop-1-ene);phosphorous acid
CID 175970460
bis(2-methylprop-1-ene);propane
CID 159493997

Frequently Asked Questions

What is the IUPAC name of dimethoxy(methyl)borane;ethane;2-methylprop-1-ene?
The IUPAC name of dimethoxy(methyl)borane;ethane;2-methylprop-1-ene (CID 157498459) is dimethoxy(methyl)borane;ethane;2-methylprop-1-ene.
What is the SMILES notation for dimethoxy(methyl)borane;ethane;2-methylprop-1-ene?
The canonical SMILES for dimethoxy(methyl)borane;ethane;2-methylprop-1-ene is C=C(C)C.CC.CC.COB(C)OC.
What is the InChIKey of dimethoxy(methyl)borane;ethane;2-methylprop-1-ene?
The InChIKey is BYCRBONEYSIWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H9BO2.2C2H6/c1-4(2)3;1-4(5-2)6-3;2*1-2/h1H2,2-3H3;1-3H3;2*1-2H3.
What are the key properties of dimethoxy(methyl)borane;ethane;2-methylprop-1-ene?
dimethoxy(methyl)borane;ethane;2-methylprop-1-ene has a molecular weight of 204.16 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(methyl)borane;ethane;2-methylprop-1-ene is sourced from PubChem (CID 157498459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).