4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane

C14H25BO4 — CID 13347667

IUPAC4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C/C=C\OC2CCCCO2)OC1(C)C
InChIInChI=1S/C14H25BO4/c1-13(2)14(3,4)19-15(18-13)9-7-11-17-12-8-5-6-10-16-12/h7,11-12H,5-6,8-10H2,1-4H3/b11-7-
InChIKeyVSLHQPJAVSVAOU-XFFZJAGNSA-N
MW268.16 g/mol
LogP3.14
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane (PubChem CID 13347667) has the molecular formula C14H25BO4 and a molecular weight of 268.16 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane
PubChem CID13347667
Molecular FormulaC14H25BO4
Molecular Weight268.16 g/mol
Exact Mass268.18
IUPAC Name4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C/C=C\OC2CCCCO2)OC1(C)C
InChIInChI=1S/C14H25BO4/c1-13(2)14(3,4)19-15(18-13)9-7-11-17-12-8-5-6-10-16-12/h7,11-12H,5-6,8-10H2,1-4H3/b11-7-
InChIKeyVSLHQPJAVSVAOU-XFFZJAGNSA-N
XLogP3.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-prop-1-enoxy]oxane
CID 12835881
4,4,5,5-tetramethyl-2-[9-(oxan-2-yloxy)nonyl]-1,3,2-dioxaborolane
CID 138111435
2-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-1-enoxy]oxane
CID 11221645
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
4-[(2S)-oxan-2-yl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 124636438
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
3-(oxan-2-yloxymethoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 59515301
2-[2-(4-methoxyphenyl)ethenoxy]oxane
CID 70261442
2-methoxyoxepane
CID 24974084
2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
CID 14172524
3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane (CID 13347667) is 4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane is CC1(C)OB(C/C=C\OC2CCCCO2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane?
The InChIKey is VSLHQPJAVSVAOU-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H25BO4/c1-13(2)14(3,4)19-15(18-13)9-7-11-17-12-8-5-6-10-16-12/h7,11-12H,5-6,8-10H2,1-4H3/b11-7-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane has a molecular weight of 268.16 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(Z)-3-(oxan-2-yloxy)prop-2-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 13347667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).