1,4-bis(deca-2,4-diynoxy)benzene

C26H30O2 — CID 15706992

IUPAC1,4-bis(deca-2,4-diynoxy)benzene
SMILESCCCCCC#CC#CCOc1ccc(OCC#CC#CCCCCC)cc1
InChIInChI=1S/C26H30O2/c1-3-5-7-9-11-13-15-17-23-27-25-19-21-26(22-20-25)28-24-18-16-14-12-10-8-6-4-2/h19-22H,3-10,23-24H2,1-2H3
InChIKeyICXRNUSKXDHTGR-UHFFFAOYSA-N
MW374.52 g/mol
LogP5.62
Rot. Bonds10

About 1,4-bis(deca-2,4-diynoxy)benzene

1,4-bis(deca-2,4-diynoxy)benzene (PubChem CID 15706992) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 1,4-bis(deca-2,4-diynoxy)benzene.

Molecular Properties

Compound Name1,4-bis(deca-2,4-diynoxy)benzene
PubChem CID15706992
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name1,4-bis(deca-2,4-diynoxy)benzene
SMILESCCCCCC#CC#CCOc1ccc(OCC#CC#CCCCCC)cc1
InChIInChI=1S/C26H30O2/c1-3-5-7-9-11-13-15-17-23-27-25-19-21-26(22-20-25)28-24-18-16-14-12-10-8-6-4-2/h19-22H,3-10,23-24H2,1-2H3
InChIKeyICXRNUSKXDHTGR-UHFFFAOYSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-deca-1,3-diynyl-4-methoxybenzene
CID 11172515
N-methyl-1-(4-pentacosa-10,12-diynoxyphenyl)methanimine
CID 58177758
1-butoxy-4-[2-(4-oct-1-ynylphenyl)ethynyl]benzene
CID 67827476
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
1,4-dipentoxybenzene
CID 18314717
tris(4-deca-1,3-diynylphenyl) benzene-1,3,5-tricarboxylate
CID 101061164
1-hexoxy-4-[2-(4-hex-1-ynylphenyl)ethynyl]benzene
CID 67827311
nonadeca-2,4-diynyl formate
CID 87556003
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-hept-1-ynyl-4-phenoxybenzene
CID 146003733
heptacosa-13,15-diynylbenzene
CID 175048871

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(deca-2,4-diynoxy)benzene?
The IUPAC name of 1,4-bis(deca-2,4-diynoxy)benzene (CID 15706992) is 1,4-bis(deca-2,4-diynoxy)benzene.
What is the SMILES notation for 1,4-bis(deca-2,4-diynoxy)benzene?
The canonical SMILES for 1,4-bis(deca-2,4-diynoxy)benzene is CCCCCC#CC#CCOc1ccc(OCC#CC#CCCCCC)cc1.
What is the InChIKey of 1,4-bis(deca-2,4-diynoxy)benzene?
The InChIKey is ICXRNUSKXDHTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-3-5-7-9-11-13-15-17-23-27-25-19-21-26(22-20-25)28-24-18-16-14-12-10-8-6-4-2/h19-22H,3-10,23-24H2,1-2H3.
What are the key properties of 1,4-bis(deca-2,4-diynoxy)benzene?
1,4-bis(deca-2,4-diynoxy)benzene has a molecular weight of 374.52 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(deca-2,4-diynoxy)benzene is sourced from PubChem (CID 15706992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).