1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene

C18H26O — CID 68508341

IUPAC1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene
SMILESCOc1cccc(CC/C=C(\C)CCC=C(C)C)c1
InChIInChI=1S/C18H26O/c1-15(2)8-5-9-16(3)10-6-11-17-12-7-13-18(14-17)19-4/h7-8,10,12-14H,5-6,9,11H2,1-4H3/b16-10+
InChIKeyHNYSEGRXBCSMMF-MHWRWJLKSA-N
MW258.40 g/mol
LogP5.32
Rot. Bonds7

About 1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene

1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene (PubChem CID 68508341) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene
PubChem CID68508341
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene
SMILESCOc1cccc(CC/C=C(\C)CCC=C(C)C)c1
InChIInChI=1S/C18H26O/c1-15(2)8-5-9-16(3)10-6-11-17-12-7-13-18(14-17)19-4/h7-8,10,12-14H,5-6,9,11H2,1-4H3/b16-10+
InChIKeyHNYSEGRXBCSMMF-MHWRWJLKSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-3-(5-methylhex-4-enyl)benzene
CID 143093894
1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene
CID 15545601
(5E,9E)-12-(3-methoxyphenyl)-5,6,9-trimethyldodeca-5,9-dienoic acid
CID 68505703
2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
CID 66983281
1-(4-methyloct-3-enyl)-3-pentoxybenzene
CID 123683670
5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79591009
2,6-bis[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione
CID 71042452
tripotassium;tris((E)-8-(3-methoxyphenyl)-6-methyl-1-phosphonooct-5-ene-1-sulfonate)
CID 139646118
2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol
CID 586140
N-[4-(3-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 71379556
1-[(2E)-7,7-dichloro-3-methylhepta-2,6-dienoxy]-3-methoxybenzene
CID 21489597
1-methoxy-3-propylbenzene
CID 14270128

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene?
The IUPAC name of 1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene (CID 68508341) is 1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene.
What is the SMILES notation for 1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene?
The canonical SMILES for 1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene is COc1cccc(CC/C=C(\C)CCC=C(C)C)c1.
What is the InChIKey of 1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene?
The InChIKey is HNYSEGRXBCSMMF-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H26O/c1-15(2)8-5-9-16(3)10-6-11-17-12-7-13-18(14-17)19-4/h7-8,10,12-14H,5-6,9,11H2,1-4H3/b16-10+.
What are the key properties of 1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene?
1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene has a molecular weight of 258.40 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene is sourced from PubChem (CID 68508341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).