4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene

C35H46O — CID 144517819

IUPAC4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene
SMILESC=C/C(=C\C(C)=C(C)C)CC(=C/C)/C=C(/C)C(=C)C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C19H28.C16H18O/c1-9-18(11-16(7)14(3)4)13-19(10-2)12-17(8)15(5)6;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h9-12H,1,5,13H2,2-4,6-8H3;5-10H,1-4H3/b17-12-,18-11+,19-10+;
InChIKeyMVSBPSHOZZZJIY-GFTOJTBRSA-N
MW482.75 g/mol
LogP11.03
Rot. Bonds8

About 4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene

4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene (PubChem CID 144517819) has the molecular formula C35H46O and a molecular weight of 482.75 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene
PubChem CID144517819
Molecular FormulaC35H46O
Molecular Weight482.75 g/mol
Exact Mass482.35
IUPAC Name4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene
SMILESC=C/C(=C\C(C)=C(C)C)CC(=C/C)/C=C(/C)C(=C)C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C19H28.C16H18O/c1-9-18(11-16(7)14(3)4)13-19(10-2)12-17(8)15(5)6;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h9-12H,1,5,13H2,2-4,6-8H3;5-10H,1-4H3/b17-12-,18-11+,19-10+;
InChIKeyMVSBPSHOZZZJIY-GFTOJTBRSA-N
XLogP11.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene?
The IUPAC name of 4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene (CID 144517819) is 4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene is C=C/C(=C\C(C)=C(C)C)CC(=C/C)/C=C(/C)C(=C)C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene?
The InChIKey is MVSBPSHOZZZJIY-GFTOJTBRSA-N. The full InChI is InChI=1S/C19H28.C16H18O/c1-9-18(11-16(7)14(3)4)13-19(10-2)12-17(8)15(5)6;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h9-12H,1,5,13H2,2-4,6-8H3;5-10H,1-4H3/b17-12-,18-11+,19-10+;.
What are the key properties of 4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene?
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene has a molecular weight of 482.75 g/mol, XLogP of 11.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3Z,5Z,7Z)-7-ethenyl-5-ethylidene-2,3,9,10-tetramethylundeca-1,3,7,9-tetraene is sourced from PubChem (CID 144517819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).