1,3,5-tributoxybenzene

C18H30O3 — CID 15933337

IUPAC1,3,5-tributoxybenzene
SMILESCCCCOc1cc(OCCCC)cc(OCCCC)c1
InChIInChI=1S/C18H30O3/c1-4-7-10-19-16-13-17(20-11-8-5-2)15-18(14-16)21-12-9-6-3/h13-15H,4-12H2,1-3H3
InChIKeyJWWNGFOCXMUERJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.22
Rot. Bonds12

About 1,3,5-tributoxybenzene

1,3,5-tributoxybenzene (PubChem CID 15933337) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1,3,5-tributoxybenzene.

Molecular Properties

Compound Name1,3,5-tributoxybenzene
PubChem CID15933337
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name1,3,5-tributoxybenzene
SMILESCCCCOc1cc(OCCCC)cc(OCCCC)c1
InChIInChI=1S/C18H30O3/c1-4-7-10-19-16-13-17(20-11-8-5-2)15-18(14-16)21-12-9-6-3/h13-15H,4-12H2,1-3H3
InChIKeyJWWNGFOCXMUERJ-UHFFFAOYSA-N
XLogP5.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
2,4,6-tributoxyaniline
CID 130240432
4-butoxy-2,6-dimethylbenzenethiol
CID 91655340
1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581
1-butoxy-3,5-ditert-butylbenzene
CID 57175272
1,3-dibutoxy-5-cyclopropylbenzene
CID 118425724
1,4-dipentoxybenzene
CID 18314717
1-butoxy-3,5-bis(chloromethyl)benzene
CID 89058586
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-butyl-3,5-di(octacosoxy)benzene
CID 91381222
(3,5-dipentoxyphenyl)methanol
CID 121005447

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tributoxybenzene?
The IUPAC name of 1,3,5-tributoxybenzene (CID 15933337) is 1,3,5-tributoxybenzene.
What is the SMILES notation for 1,3,5-tributoxybenzene?
The canonical SMILES for 1,3,5-tributoxybenzene is CCCCOc1cc(OCCCC)cc(OCCCC)c1.
What is the InChIKey of 1,3,5-tributoxybenzene?
The InChIKey is JWWNGFOCXMUERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-4-7-10-19-16-13-17(20-11-8-5-2)15-18(14-16)21-12-9-6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1,3,5-tributoxybenzene?
1,3,5-tributoxybenzene has a molecular weight of 294.44 g/mol, XLogP of 5.22, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tributoxybenzene is sourced from PubChem (CID 15933337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).