1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene

C20H30O2 — CID 19820126

IUPAC1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene
SMILESC=CC(Oc1cccc(OC(C=C)C(C)(C)C)c1)C(C)(C)C
InChIInChI=1S/C20H30O2/c1-9-17(19(3,4)5)21-15-12-11-13-16(14-15)22-18(10-2)20(6,7)8/h9-14,17-18H,1-2H2,3-8H3
InChIKeyWTGCCUGLWKHJPU-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.65
Rot. Bonds6

About 1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene

1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene (PubChem CID 19820126) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene.

Molecular Properties

Compound Name1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene
PubChem CID19820126
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene
SMILESC=CC(Oc1cccc(OC(C=C)C(C)(C)C)c1)C(C)(C)C
InChIInChI=1S/C20H30O2/c1-9-17(19(3,4)5)21-15-12-11-13-16(14-15)22-18(10-2)20(6,7)8/h9-14,17-18H,1-2H2,3-8H3
InChIKeyWTGCCUGLWKHJPU-UHFFFAOYSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-but-3-en-2-yloxyphenol
CID 62384342
1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069
N-[(3-but-3-en-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55145874
1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 23622432
1,3-di(pentan-3-yloxy)benzene
CID 91386050
[3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate
CID 102471013
4,4-dimethylpent-1-en-3-yl acetate
CID 12593030
1-ethenyl-3-(1-propan-2-yloxyethoxy)benzene
CID 22184224
1-[3-[(2-methylpropan-2-yl)oxy]phenoxy]propan-1-amine
CID 67825712
1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine
CID 117052163
N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline
CID 68584569
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene?
The IUPAC name of 1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene (CID 19820126) is 1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene.
What is the SMILES notation for 1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene?
The canonical SMILES for 1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene is C=CC(Oc1cccc(OC(C=C)C(C)(C)C)c1)C(C)(C)C.
What is the InChIKey of 1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene?
The InChIKey is WTGCCUGLWKHJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-9-17(19(3,4)5)21-15-12-11-13-16(14-15)22-18(10-2)20(6,7)8/h9-14,17-18H,1-2H2,3-8H3.
What are the key properties of 1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene?
1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene has a molecular weight of 302.46 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene is sourced from PubChem (CID 19820126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).