4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane

C14H25BO2 — CID 102027371

IUPAC4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane
SMILESCC=C=C(CCCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H25BO2/c1-7-9-11-12(10-8-2)15-16-13(3,4)14(5,6)17-15/h8H,7,9,11H2,1-6H3
InChIKeyVSVYEBLQOMVBKU-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.91
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane (PubChem CID 102027371) has the molecular formula C14H25BO2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane
PubChem CID102027371
Molecular FormulaC14H25BO2
Molecular Weight236.16 g/mol
Exact Mass236.19
IUPAC Name4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane
SMILESCC=C=C(CCCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H25BO2/c1-7-9-11-12(10-8-2)15-16-13(3,4)14(5,6)17-15/h8H,7,9,11H2,1-6H3
InChIKeyVSVYEBLQOMVBKU-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclopent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486611
2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
2-[(1E)-3,3-Dimethyl-1-buten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11769738
4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
4,4,5,5-tetramethyl-2-((1E)-3-methylbut-1-en-1-yl)-1,3,2-dioxaborolane
CID 15206435
2-(3,3-Dimethylbut-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15496053
2-(But-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46739762
4,4,5,5-Tetramethyl-2-(pent-1-en-2-yl)-1,3,2-dioxaborolane
CID 123897364
(E)-4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-1-yl)-1,3,2-dioxaborolane
CID 124273621
(E)-2-(Hept-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15181925
4,4,5,5-Tetramethyl-2-(pent-1-en-3-yl)-1,3,2-dioxaborolane
CID 11701200

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane (CID 102027371) is 4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane is CC=C=C(CCCC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane?
The InChIKey is VSVYEBLQOMVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BO2/c1-7-9-11-12(10-8-2)15-16-13(3,4)14(5,6)17-15/h8H,7,9,11H2,1-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane has a molecular weight of 236.16 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-octa-2,3-dien-4-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 102027371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).