1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene

C16H24O4 — CID 11265980

IUPAC1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene
SMILESCOCOC/C=C/CCCOCc1ccc(OC)cc1
InChIInChI=1S/C16H24O4/c1-17-14-20-12-6-4-3-5-11-19-13-15-7-9-16(18-2)10-8-15/h4,6-10H,3,5,11-14H2,1-2H3/b6-4+
InChIKeyUCKARPMQBFBGAB-GQCTYLIASA-N
MW280.36 g/mol
LogP3.17
Rot. Bonds11

About 1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene

1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene (PubChem CID 11265980) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene
PubChem CID11265980
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene
SMILESCOCOC/C=C/CCCOCc1ccc(OC)cc1
InChIInChI=1S/C16H24O4/c1-17-14-20-12-6-4-3-5-11-19-13-15-7-9-16(18-2)10-8-15/h4,6-10H,3,5,11-14H2,1-2H3/b6-4+
InChIKeyUCKARPMQBFBGAB-GQCTYLIASA-N
XLogP3.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene 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-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene
CID 57408009
ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate
CID 72700869
1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
4-[(4-methoxyphenyl)methoxy]butoxy thiohypoiodite
CID 170713872
1-methoxy-4-(2-pentadec-14-ynoxyethoxymethyl)benzene
CID 162744243
(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
CID 10752160
1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene
CID 139620360

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene?
The IUPAC name of 1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene (CID 11265980) is 1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene is COCOC/C=C/CCCOCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene?
The InChIKey is UCKARPMQBFBGAB-GQCTYLIASA-N. The full InChI is InChI=1S/C16H24O4/c1-17-14-20-12-6-4-3-5-11-19-13-15-7-9-16(18-2)10-8-15/h4,6-10H,3,5,11-14H2,1-2H3/b6-4+.
What are the key properties of 1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene?
1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene has a molecular weight of 280.36 g/mol, XLogP of 3.17, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[(E)-6-(methoxymethoxy)hex-4-enoxy]methyl]benzene is sourced from PubChem (CID 11265980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).