2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene

C32H42O — CID 69442758

IUPAC2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1cccc(CCC(=C)C)c1Oc1c(CCC(=C)C)cccc1CCC(=C)C
InChIInChI=1S/C32H42O/c1-23(2)15-19-27-11-9-12-28(20-16-24(3)4)31(27)33-32-29(21-17-25(5)6)13-10-14-30(32)22-18-26(7)8/h9-14H,1,3,5,7,15-22H2,2,4,6,8H3
InChIKeyCEZYDJDANGCLSQ-UHFFFAOYSA-N
MW442.69 g/mol
LogP9.51
Rot. Bonds14

About 2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene

2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene (PubChem CID 69442758) has the molecular formula C32H42O and a molecular weight of 442.69 g/mol. Its IUPAC name is 2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene
PubChem CID69442758
Molecular FormulaC32H42O
Molecular Weight442.69 g/mol
Exact Mass442.32
IUPAC Name2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1cccc(CCC(=C)C)c1Oc1c(CCC(=C)C)cccc1CCC(=C)C
InChIInChI=1S/C32H42O/c1-23(2)15-19-27-11-9-12-28(20-16-24(3)4)31(27)33-32-29(21-17-25(5)6)13-10-14-30(32)22-18-26(7)8/h9-14H,1,3,5,7,15-22H2,2,4,6,8H3
InChIKeyCEZYDJDANGCLSQ-UHFFFAOYSA-N
XLogP9.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.69
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbut-3-enyl)-1H-indole
CID 14010474
1-(4-methylpent-4-enyl)naphthalene
CID 146002701
2-[3-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476290
2,4,6-tris[2-ethyl-6-(2-methylprop-2-enyl)phenoxy]-1,3,5-triazine
CID 139779860
1-methoxy-4-[2-(3-methylbut-3-enyl)phenyl]sulfanylbenzene
CID 71387554
3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one
CID 141086031
2-(3-methylbut-3-enyl)benzene-1,4-diol
CID 23318481
6-methyl-1-(2-methylphenyl)hept-6-en-3-one
CID 105129887
[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471527
3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine
CID 114472242
[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 112613056
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene?
The IUPAC name of 2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene (CID 69442758) is 2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene.
What is the SMILES notation for 2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene?
The canonical SMILES for 2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene is C=C(C)CCc1cccc(CCC(=C)C)c1Oc1c(CCC(=C)C)cccc1CCC(=C)C.
What is the InChIKey of 2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene?
The InChIKey is CEZYDJDANGCLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O/c1-23(2)15-19-27-11-9-12-28(20-16-24(3)4)31(27)33-32-29(21-17-25(5)6)13-10-14-30(32)22-18-26(7)8/h9-14H,1,3,5,7,15-22H2,2,4,6,8H3.
What are the key properties of 2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene?
2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene has a molecular weight of 442.69 g/mol, XLogP of 9.51, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene is sourced from PubChem (CID 69442758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).