1-deca-1,3-diynyl-4-methoxybenzene

C17H20O — CID 11172515

IUPAC1-deca-1,3-diynyl-4-methoxybenzene
SMILESCCCCCCC#CC#Cc1ccc(OC)cc1
InChIInChI=1S/C17H20O/c1-3-4-5-6-7-8-9-10-11-16-12-14-17(18-2)15-13-16/h12-15H,3-7H2,1-2H3
InChIKeyRMOBFSWAXFIJCX-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.02
Rot. Bonds5

About 1-deca-1,3-diynyl-4-methoxybenzene

1-deca-1,3-diynyl-4-methoxybenzene (PubChem CID 11172515) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-deca-1,3-diynyl-4-methoxybenzene.

Molecular Properties

Compound Name1-deca-1,3-diynyl-4-methoxybenzene
PubChem CID11172515
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-deca-1,3-diynyl-4-methoxybenzene
SMILESCCCCCCC#CC#Cc1ccc(OC)cc1
InChIInChI=1S/C17H20O/c1-3-4-5-6-7-8-9-10-11-16-12-14-17(18-2)15-13-16/h12-15H,3-7H2,1-2H3
InChIKeyRMOBFSWAXFIJCX-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-hex-1-ynyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 67827439
tris(4-deca-1,3-diynylphenyl) benzene-1,3,5-tricarboxylate
CID 101061164
methyl 4-nona-1,3-diynylbenzoate
CID 11184372
1-decoxy-4-[4-(4-decoxyphenyl)buta-1,3-diynyl]benzene
CID 15184823
1-butoxy-4-[2-(4-oct-1-ynylphenyl)ethynyl]benzene
CID 67827476
1,4-bis(deca-2,4-diynoxy)benzene
CID 15706992
4-hexadeca-1,3-diynylbenzoate
CID 102596617
3,5-bis[(4-deca-1,3-diynylphenoxy)carbonyl]benzoic acid
CID 102019415
1-(7-iodohept-1-ynyl)-4-methoxybenzene
CID 102309739
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 613607
1-[(2-methylpropan-2-yl)oxy]-4-non-1-ynylbenzene
CID 146002768
1-hexoxy-4-[2-(4-hex-1-ynylphenyl)ethynyl]benzene
CID 67827311

Frequently Asked Questions

What is the IUPAC name of 1-deca-1,3-diynyl-4-methoxybenzene?
The IUPAC name of 1-deca-1,3-diynyl-4-methoxybenzene (CID 11172515) is 1-deca-1,3-diynyl-4-methoxybenzene.
What is the SMILES notation for 1-deca-1,3-diynyl-4-methoxybenzene?
The canonical SMILES for 1-deca-1,3-diynyl-4-methoxybenzene is CCCCCCC#CC#Cc1ccc(OC)cc1.
What is the InChIKey of 1-deca-1,3-diynyl-4-methoxybenzene?
The InChIKey is RMOBFSWAXFIJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-4-5-6-7-8-9-10-11-16-12-14-17(18-2)15-13-16/h12-15H,3-7H2,1-2H3.
What are the key properties of 1-deca-1,3-diynyl-4-methoxybenzene?
1-deca-1,3-diynyl-4-methoxybenzene has a molecular weight of 240.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deca-1,3-diynyl-4-methoxybenzene is sourced from PubChem (CID 11172515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).