2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane

C15H31BO — CID 102331515

IUPAC2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane
SMILESCOC/C=C\B(C(C)C(C)C)C(C)(C)C(C)C
InChIInChI=1S/C15H31BO/c1-12(2)14(5)16(10-9-11-17-8)15(6,7)13(3)4/h9-10,12-14H,11H2,1-8H3/b10-9-
InChIKeyKABIZUDIFZWTMK-KTKRTIGZSA-N
MW238.22 g/mol
LogP4.71
Rot. Bonds7

About 2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane

2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane (PubChem CID 102331515) has the molecular formula C15H31BO and a molecular weight of 238.22 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane
PubChem CID102331515
Molecular FormulaC15H31BO
Molecular Weight238.22 g/mol
Exact Mass238.25
IUPAC Name2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane
SMILESCOC/C=C\B(C(C)C(C)C)C(C)(C)C(C)C
InChIInChI=1S/C15H31BO/c1-12(2)14(5)16(10-9-11-17-8)15(6,7)13(3)4/h9-10,12-14H,11H2,1-8H3/b10-9-
InChIKeyKABIZUDIFZWTMK-KTKRTIGZSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 54.71
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

tert-butyl (E)-4-methoxybut-2-enoate
CID 15545896
1-methoxypent-2-ene
CID 551185
1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene
CID 143599769
(E)-1,1,4-trimethoxybut-2-ene
CID 10486990
3,6-dimethoxyhexa-1,4-diene
CID 173199607
(E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene
CID 14364624
(E)-1-methoxy-5-methyloct-2-ene
CID 88527426
(Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine
CID 143427083
(E)-1-methoxypent-2-ene;1-methoxypropane
CID 159933268
1-bromo-1,1-difluoro-4-methoxybut-2-ene
CID 90920955
1-methoxy-3,3,4,5-tetramethylhexane
CID 123458984

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane?
The IUPAC name of 2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane (CID 102331515) is 2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane?
The canonical SMILES for 2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane is COC/C=C\B(C(C)C(C)C)C(C)(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane?
The InChIKey is KABIZUDIFZWTMK-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H31BO/c1-12(2)14(5)16(10-9-11-17-8)15(6,7)13(3)4/h9-10,12-14H,11H2,1-8H3/b10-9-.
What are the key properties of 2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane?
2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane has a molecular weight of 238.22 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane is sourced from PubChem (CID 102331515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).