1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene

C19H28O — CID 69088540

IUPAC1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene
SMILESCOc1ccc(CC(C)/C=C(\C)CCC=C(C)C)cc1
InChIInChI=1S/C19H28O/c1-15(2)7-6-8-16(3)13-17(4)14-18-9-11-19(20-5)12-10-18/h7,9-13,17H,6,8,14H2,1-5H3/b16-13+
InChIKeyXCSLUSDKAMNDCU-DTQAZKPQSA-N
MW272.43 g/mol
LogP5.57
Rot. Bonds7

About 1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene

1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene (PubChem CID 69088540) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene
PubChem CID69088540
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene
SMILESCOc1ccc(CC(C)/C=C(\C)CCC=C(C)C)cc1
InChIInChI=1S/C19H28O/c1-15(2)7-6-8-16(3)13-17(4)14-18-9-11-19(20-5)12-10-18/h7,9-13,17H,6,8,14H2,1-5H3/b16-13+
InChIKeyXCSLUSDKAMNDCU-DTQAZKPQSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.57
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-methoxyphenyl)methyl (2E)-3,7-dimethylocta-2,6-dienoate
CID 170275325
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline
CID 69302470
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
CID 11160278
(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid
CID 10518482
(2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal
CID 122226267
(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid
CID 174832774
(E)-5-(4-methoxyphenyl)-2-methylpent-2-en-1-ol
CID 10420524
(2R,3R)-2-[(4-methoxyphenyl)methoxy]-7-methyloct-6-ene-1,3-diol
CID 71425675
[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene
CID 70357331
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzenesulfonamide
CID 162639468

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene?
The IUPAC name of 1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene (CID 69088540) is 1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene?
The canonical SMILES for 1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene is COc1ccc(CC(C)/C=C(\C)CCC=C(C)C)cc1.
What is the InChIKey of 1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene?
The InChIKey is XCSLUSDKAMNDCU-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H28O/c1-15(2)7-6-8-16(3)13-17(4)14-18-9-11-19(20-5)12-10-18/h7,9-13,17H,6,8,14H2,1-5H3/b16-13+.
What are the key properties of 1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene?
1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene has a molecular weight of 272.43 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene is sourced from PubChem (CID 69088540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).