1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene

C14H18O2 — CID 144594995

IUPAC1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene
SMILESC=CC(=C)CCc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H18O2/c1-5-11(2)6-7-12-8-13(15-3)10-14(9-12)16-4/h5,8-10H,1-2,6-7H2,3-4H3
InChIKeyVSYIOJRKSMGGKU-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.38
Rot. Bonds6

About 1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene

1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene (PubChem CID 144594995) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene
PubChem CID144594995
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene
SMILESC=CC(=C)CCc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H18O2/c1-5-11(2)6-7-12-8-13(15-3)10-14(9-12)16-4/h5,8-10H,1-2,6-7H2,3-4H3
InChIKeyVSYIOJRKSMGGKU-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
1-butyl-3,5-dimethoxybenzene
CID 524875
2-(3,5-dimethoxyphenyl)ethyl-trimethoxysilane
CID 59566880
sodium 2-(3,5-dimethoxyphenyl)ethanolate
CID 175142417
1,3-dimethoxy-5-pentylbenzene;5-pentylbenzene-1,3-diol
CID 162222442
N-[(3,5-dimethoxyphenyl)methyl]but-3-en-2-amine
CID 115691183
8-(3,5-dimethoxyphenyl)octanoic acid
CID 14427818
ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 144848774
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233
1,3-dimethoxy-5-(2-nitrosoethyl)benzene
CID 132967337

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene?
The IUPAC name of 1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene (CID 144594995) is 1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene.
What is the SMILES notation for 1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene?
The canonical SMILES for 1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene is C=CC(=C)CCc1cc(OC)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene?
The InChIKey is VSYIOJRKSMGGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-5-11(2)6-7-12-8-13(15-3)10-14(9-12)16-4/h5,8-10H,1-2,6-7H2,3-4H3.
What are the key properties of 1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene?
1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene has a molecular weight of 218.30 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene is sourced from PubChem (CID 144594995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).