2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H39BO2 — CID 146168889

IUPAC2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCC(B1OC(C)(C)C(C)(C)O1)C(C)CCC=C(C)C
InChIInChI=1S/C20H39BO2/c1-9-10-11-15-18(17(4)14-12-13-16(2)3)21-22-19(5,6)20(7,8)23-21/h13,17-18H,9-12,14-15H2,1-8H3
InChIKeyGXIQSIQYYYXFBK-UHFFFAOYSA-N
MW322.34 g/mol
LogP6.41
Rot. Bonds9

About 2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 146168889) has the molecular formula C20H39BO2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID146168889
Molecular FormulaC20H39BO2
Molecular Weight322.34 g/mol
Exact Mass322.30
IUPAC Name2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCC(B1OC(C)(C)C(C)(C)O1)C(C)CCC=C(C)C
InChIInChI=1S/C20H39BO2/c1-9-10-11-15-18(17(4)14-12-13-16(2)3)21-22-19(5,6)20(7,8)23-21/h13,17-18H,9-12,14-15H2,1-8H3
InChIKeyGXIQSIQYYYXFBK-UHFFFAOYSA-N
XLogP6.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.34
LogP ≤ 56.41
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,3R)-3,7-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-en-1-ol
CID 154713227
4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane
CID 102188713
4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane
CID 132938680
7-methyl-3-pentyloct-6-enal
CID 21430179
(7R,8S)-2-methyloctadec-2-ene-7,8-diol
CID 13420628
4,8-dimethylnon-7-en-3-ol
CID 3015366
4,4,5,5-tetramethyl-2-[(E)-2-methylnon-4-en-3-yl]-1,3,2-dioxaborolane
CID 132559327
(8E)-9,13-dimethyltetradeca-8,12-dien-6-ol
CID 15717608
(2R)-N-butyl-6-methylhept-5-en-2-amine
CID 121451100
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptan-2-ol
CID 154719027
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
2,4,8-trimethylnon-7-en-3-ol
CID 3015367

Frequently Asked Questions

What is the IUPAC name of 2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 146168889) is 2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCCC(B1OC(C)(C)C(C)(C)O1)C(C)CCC=C(C)C.
What is the InChIKey of 2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GXIQSIQYYYXFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39BO2/c1-9-10-11-15-18(17(4)14-12-13-16(2)3)21-22-19(5,6)20(7,8)23-21/h13,17-18H,9-12,14-15H2,1-8H3.
What are the key properties of 2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 322.34 g/mol, XLogP of 6.41, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,11-dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 146168889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).