1,3-bis(3,3-dimethylbutoxy)benzene

C18H30O2 — CID 69310955

IUPAC1,3-bis(3,3-dimethylbutoxy)benzene
SMILESCC(C)(C)CCOc1cccc(OCCC(C)(C)C)c1
InChIInChI=1S/C18H30O2/c1-17(2,3)10-12-19-15-8-7-9-16(14-15)20-13-11-18(4,5)6/h7-9,14H,10-13H2,1-6H3
InChIKeyWUJFYQRYKPHKDU-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.32
Rot. Bonds6

About 1,3-bis(3,3-dimethylbutoxy)benzene

1,3-bis(3,3-dimethylbutoxy)benzene (PubChem CID 69310955) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1,3-bis(3,3-dimethylbutoxy)benzene.

Molecular Properties

Compound Name1,3-bis(3,3-dimethylbutoxy)benzene
PubChem CID69310955
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1,3-bis(3,3-dimethylbutoxy)benzene
SMILESCC(C)(C)CCOc1cccc(OCCC(C)(C)C)c1
InChIInChI=1S/C18H30O2/c1-17(2,3)10-12-19-15-8-7-9-16(14-15)20-13-11-18(4,5)6/h7-9,14H,10-13H2,1-6H3
InChIKeyWUJFYQRYKPHKDU-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
3-(3,3-dimethylbutoxy)-N'-hydroxybenzenecarboximidamide
CID 109374361
(E)-3-[3-(3,3-dimethylbutoxy)phenyl]prop-2-enoic acid
CID 94208108
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
1-(2,2-dimethylbutoxy)-3-[2-[3-(2,2-dimethylbutoxy)phenoxy]ethoxy]benzene
CID 20738671
1-chloro-3,3-dimethylbutane;3-(3,3-dimethylbutoxy)benzaldehyde;3-hydroxybenzaldehyde
CID 158545964
1-bromo-3-[4-bromo-3-(bromomethyl)-3-methylbutoxy]benzene
CID 79453369
1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 141365306
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,3-dimethylbutoxy)benzene?
The IUPAC name of 1,3-bis(3,3-dimethylbutoxy)benzene (CID 69310955) is 1,3-bis(3,3-dimethylbutoxy)benzene.
What is the SMILES notation for 1,3-bis(3,3-dimethylbutoxy)benzene?
The canonical SMILES for 1,3-bis(3,3-dimethylbutoxy)benzene is CC(C)(C)CCOc1cccc(OCCC(C)(C)C)c1.
What is the InChIKey of 1,3-bis(3,3-dimethylbutoxy)benzene?
The InChIKey is WUJFYQRYKPHKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-17(2,3)10-12-19-15-8-7-9-16(14-15)20-13-11-18(4,5)6/h7-9,14H,10-13H2,1-6H3.
What are the key properties of 1,3-bis(3,3-dimethylbutoxy)benzene?
1,3-bis(3,3-dimethylbutoxy)benzene has a molecular weight of 278.44 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,3-dimethylbutoxy)benzene is sourced from PubChem (CID 69310955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).