1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene

C20H30O2 — CID 10638119

IUPAC1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene
SMILESC=C(/C=C(\C)C(CC)OCc1ccc(OC)cc1)CCCC
InChIInChI=1S/C20H30O2/c1-6-8-9-16(3)14-17(4)20(7-2)22-15-18-10-12-19(21-5)13-11-18/h10-14,20H,3,6-9,15H2,1-2,4-5H3/b17-14+
InChIKeyAOJGOBDYIYCHRJ-SAPNQHFASA-N
MW302.46 g/mol
LogP5.68
Rot. Bonds10

About 1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene

1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene (PubChem CID 10638119) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene
PubChem CID10638119
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene
SMILESC=C(/C=C(\C)C(CC)OCc1ccc(OC)cc1)CCCC
InChIInChI=1S/C20H30O2/c1-6-8-9-16(3)14-17(4)20(7-2)22-15-18-10-12-19(21-5)13-11-18/h10-14,20H,3,6-9,15H2,1-2,4-5H3/b17-14+
InChIKeyAOJGOBDYIYCHRJ-SAPNQHFASA-N
XLogP5.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene?
The IUPAC name of 1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene (CID 10638119) is 1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene is C=C(/C=C(\C)C(CC)OCc1ccc(OC)cc1)CCCC.
What is the InChIKey of 1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene?
The InChIKey is AOJGOBDYIYCHRJ-SAPNQHFASA-N. The full InChI is InChI=1S/C20H30O2/c1-6-8-9-16(3)14-17(4)20(7-2)22-15-18-10-12-19(21-5)13-11-18/h10-14,20H,3,6-9,15H2,1-2,4-5H3/b17-14+.
What are the key properties of 1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene?
1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene has a molecular weight of 302.46 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[(E)-4-methyl-6-methylidenedec-4-en-3-yl]oxymethyl]benzene is sourced from PubChem (CID 10638119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).