2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene

C18H30O4 — CID 164764954

IUPAC2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(OC(C)OCC)c(C(C)CC)c1
InChIInChI=1S/C18H30O4/c1-7-13(4)17-12-16(21-14(5)19-8-2)10-11-18(17)22-15(6)20-9-3/h10-15H,7-9H2,1-6H3
InChIKeyDYFWVPQPMFHUTE-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.72
Rot. Bonds10

About 2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene

2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene (PubChem CID 164764954) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene.

Molecular Properties

Compound Name2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene
PubChem CID164764954
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(OC(C)OCC)c(C(C)CC)c1
InChIInChI=1S/C18H30O4/c1-7-13(4)17-12-16(21-14(5)19-8-2)10-11-18(17)22-15(6)20-9-3/h10-15H,7-9H2,1-6H3
InChIKeyDYFWVPQPMFHUTE-UHFFFAOYSA-N
XLogP4.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene
CID 168757602
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
2-ethenyl-1,4-bis(1-ethoxyethoxy)benzene
CID 102247848
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
4-(1-ethoxyethoxy)aniline
CID 139920192
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
1-butan-2-yl-3-[1-(2-methylpropoxy)ethoxy]benzene
CID 58711385
1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene
CID 22621299
1,3-dibromo-5-(1-ethoxyethoxy)benzene
CID 134249105
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;(4-butan-2-ylphenyl) methyl carbonate
CID 91394144
1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene
CID 174187739

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene?
The IUPAC name of 2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene (CID 164764954) is 2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene.
What is the SMILES notation for 2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene?
The canonical SMILES for 2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene is CCOC(C)Oc1ccc(OC(C)OCC)c(C(C)CC)c1.
What is the InChIKey of 2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene?
The InChIKey is DYFWVPQPMFHUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-7-13(4)17-12-16(21-14(5)19-8-2)10-11-18(17)22-15(6)20-9-3/h10-15H,7-9H2,1-6H3.
What are the key properties of 2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene?
2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene has a molecular weight of 310.43 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene is sourced from PubChem (CID 164764954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).