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

C16H27BO2 — CID 102349997

IUPAC2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC/C=C/C=C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H27BO2/c1-6-7-8-9-10-11-12-13-14-17-18-15(2,3)16(4,5)19-17/h9-14H,6-8H2,1-5H3/b10-9+,12-11+,14-13+
InChIKeyQPGWJNNRZMNLNX-OFYUHDMGSA-N
MW262.20 g/mol
LogP4.48
Rot. Bonds6

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

2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102349997) has the molecular formula C16H27BO2 and a molecular weight of 262.20 g/mol. Its IUPAC name is 2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102349997
Molecular FormulaC16H27BO2
Molecular Weight262.20 g/mol
Exact Mass262.21
IUPAC Name2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC/C=C/C=C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H27BO2/c1-6-7-8-9-10-11-12-13-14-17-18-15(2,3)16(4,5)19-17/h9-14H,6-8H2,1-5H3/b10-9+,12-11+,14-13+
InChIKeyQPGWJNNRZMNLNX-OFYUHDMGSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 54.48
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-[(1E,3E,11Z)-icosa-1,3,11-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101160797
4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane
CID 86013616
2-[(E)-5-chloropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11128132
4,4,5,5-tetramethyl-2-[(1E,3E)-6-phenylhexa-1,3-dienyl]-1,3,2-dioxaborolane
CID 12023376
tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane
CID 102260350
2-[(E)-5-bromopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 167722175
2-[(E)-2-butoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90226053
trideca-2,4,6,8-tetraene
CID 54117998
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(3Z,5E)-1-chlorodeca-1,3,5-triene
CID 138968587
N,N-bis(octa-1,3-dienyl)octa-1,3-dien-1-amine
CID 54232103

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102349997) is 2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCC/C=C/C=C/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QPGWJNNRZMNLNX-OFYUHDMGSA-N. The full InChI is InChI=1S/C16H27BO2/c1-6-7-8-9-10-11-12-13-14-17-18-15(2,3)16(4,5)19-17/h9-14H,6-8H2,1-5H3/b10-9+,12-11+,14-13+.
What are the key properties of 2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 262.20 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102349997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).