1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene

C19H30O2 — CID 24770796

IUPAC1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene
SMILESC=CCc1cc(OCCC(C)C)ccc1OCCC(C)C
InChIInChI=1S/C19H30O2/c1-6-7-17-14-18(20-12-10-15(2)3)8-9-19(17)21-13-11-16(4)5/h6,8-9,14-16H,1,7,10-13H2,2-5H3
InChIKeySLQBSMINPLKSIV-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.26
Rot. Bonds10

About 1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene

1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene (PubChem CID 24770796) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene
PubChem CID24770796
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene
SMILESC=CCc1cc(OCCC(C)C)ccc1OCCC(C)C
InChIInChI=1S/C19H30O2/c1-6-7-17-14-18(20-12-10-15(2)3)8-9-19(17)21-13-11-16(4)5/h6,8-9,14-16H,1,7,10-13H2,2-5H3
InChIKeySLQBSMINPLKSIV-UHFFFAOYSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.26
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

Butylated Hydroxyanisole
CID 8456
Delta-Tocopherol
CID 92094
Tocotrienol
CID 9929901
Carvacryl acetate
CID 80792
3-Methoxytoluene
CID 7530
Thymyl methyl ether
CID 14104
Thymol acetate
CID 68252
2-Methylanisole
CID 33637
Carvacryl methyl ether
CID 80790
Dihydrobenzofuran
CID 10329
Hthq
CID 119193
2-tert-Butyl-4-hydroxyanisole
CID 6932

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene?
The IUPAC name of 1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene (CID 24770796) is 1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene.
What is the SMILES notation for 1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene?
The canonical SMILES for 1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene is C=CCc1cc(OCCC(C)C)ccc1OCCC(C)C.
What is the InChIKey of 1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene?
The InChIKey is SLQBSMINPLKSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-6-7-17-14-18(20-12-10-15(2)3)8-9-19(17)21-13-11-16(4)5/h6,8-9,14-16H,1,7,10-13H2,2-5H3.
What are the key properties of 1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene?
1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene has a molecular weight of 290.45 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-methylbutoxy)-2-prop-2-enylbenzene is sourced from PubChem (CID 24770796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).