2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H29BO2 — CID 11265537

IUPAC2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCC/C=C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H29BO2/c1-6-7-8-9-10-11-12-13-14-17-18-15(2,3)16(4,5)19-17/h11-14H,6-10H2,1-5H3/b12-11+,14-13+
InChIKeyXKDLVWZKNFSCGA-LDHFCIDVSA-N
MW264.22 g/mol
LogP4.70
Rot. Bonds7

About 2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 11265537) has the molecular formula C16H29BO2 and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID11265537
Molecular FormulaC16H29BO2
Molecular Weight264.22 g/mol
Exact Mass264.23
IUPAC Name2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCC/C=C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H29BO2/c1-6-7-8-9-10-11-12-13-14-17-18-15(2,3)16(4,5)19-17/h11-14H,6-10H2,1-5H3/b12-11+,14-13+
InChIKeyXKDLVWZKNFSCGA-LDHFCIDVSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
1-Cycloheptenylboronic acid pinacol ester
CID 15486609
2-Cyclopenta-1,3-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13828422
trans-4,4,5,5-Tetramethyl-2-oct-1-enyl-1,3,2-dioxaborolane
CID 5706555
(E)-2-(2-(cyclohex-1-en-1-yl)vinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11310851
2-[(Z)-dodec-6-en-6-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149059896
4,4,5,5-tetramethyl-2-[(Z)-oct-1-enyl]-1,3,2-dioxaborolane
CID 10857506
Agn-PC-009zql
CID 11482352
2-Cyclohex-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11252761
2-Cyclohept-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486610
2-(2-Cyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486612
2-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 44119647

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 11265537) is 2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCCC/C=C/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is XKDLVWZKNFSCGA-LDHFCIDVSA-N. The full InChI is InChI=1S/C16H29BO2/c1-6-7-8-9-10-11-12-13-14-17-18-15(2,3)16(4,5)19-17/h11-14H,6-10H2,1-5H3/b12-11+,14-13+.
What are the key properties of 2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 264.22 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-deca-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 11265537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).