[(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid

C17H19BO2 — CID 143742416

IUPAC[(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid
SMILESC=c1cccc/c1=C/C=C\C=C/C=C(\C=C\C)B(O)O
InChIInChI=1S/C17H19BO2/c1-3-10-17(18(19)20)14-7-5-4-6-12-16-13-9-8-11-15(16)2/h3-14,19-20H,2H2,1H3/b6-4-,7-5-,10-3+,16-12-,17-14+
InChIKeyWDNGANULQNBMQP-LKWHLTIISA-N
MW266.15 g/mol
LogP1.50
Rot. Bonds5

About [(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid

[(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid (PubChem CID 143742416) has the molecular formula C17H19BO2 and a molecular weight of 266.15 g/mol. Its IUPAC name is [(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid.

Molecular Properties

Compound Name[(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid
PubChem CID143742416
Molecular FormulaC17H19BO2
Molecular Weight266.15 g/mol
Exact Mass266.15
IUPAC Name[(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid
SMILESC=c1cccc/c1=C/C=C\C=C/C=C(\C=C\C)B(O)O
InChIInChI=1S/C17H19BO2/c1-3-10-17(18(19)20)14-7-5-4-6-12-16-13-9-8-11-15(16)2/h3-14,19-20H,2H2,1H3/b6-4-,7-5-,10-3+,16-12-,17-14+
InChIKeyWDNGANULQNBMQP-LKWHLTIISA-N
XLogP1.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid?
The IUPAC name of [(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid (CID 143742416) is [(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid.
What is the SMILES notation for [(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid?
The canonical SMILES for [(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid is C=c1cccc/c1=C/C=C\C=C/C=C(\C=C\C)B(O)O.
What is the InChIKey of [(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid?
The InChIKey is WDNGANULQNBMQP-LKWHLTIISA-N. The full InChI is InChI=1S/C17H19BO2/c1-3-10-17(18(19)20)14-7-5-4-6-12-16-13-9-8-11-15(16)2/h3-14,19-20H,2H2,1H3/b6-4-,7-5-,10-3+,16-12-,17-14+.
What are the key properties of [(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid?
[(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid has a molecular weight of 266.15 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z,6Z,8Z,10Z)-10-(6-methylidenecyclohexa-2,4-dien-1-ylidene)deca-2,4,6,8-tetraen-4-yl]boronic acid is sourced from PubChem (CID 143742416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).