1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene

C14H20O3 — CID 71416363

IUPAC1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene
SMILESCCC=C(C)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20O3/c1-5-6-11(2)10-17-14-8-12(15-3)7-13(9-14)16-4/h6-9H,5,10H2,1-4H3
InChIKeyCGEDHPDWQKQTRB-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.44
Rot. Bonds6

About 1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene

1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene (PubChem CID 71416363) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene
PubChem CID71416363
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene
SMILESCCC=C(C)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20O3/c1-5-6-11(2)10-17-14-8-12(15-3)7-13(9-14)16-4/h6-9H,5,10H2,1-4H3
InChIKeyCGEDHPDWQKQTRB-UHFFFAOYSA-N
XLogP3.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067007
2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
CID 112978560
1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene
CID 168878591
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
3-(3,5-dimethoxyphenyl)but-2-en-1-ol
CID 54436629
3-methoxy-5-(2-methylidenebutoxy)benzonitrile
CID 103567099
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide
CID 116820842

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene?
The IUPAC name of 1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene (CID 71416363) is 1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene.
What is the SMILES notation for 1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene?
The canonical SMILES for 1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene is CCC=C(C)COc1cc(OC)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene?
The InChIKey is CGEDHPDWQKQTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-6-11(2)10-17-14-8-12(15-3)7-13(9-14)16-4/h6-9H,5,10H2,1-4H3.
What are the key properties of 1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene?
1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene has a molecular weight of 236.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene is sourced from PubChem (CID 71416363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).