1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene

C15H22O — CID 83940881

IUPAC1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1cc(C)c(OCC)cc1C
InChIInChI=1S/C15H22O/c1-5-7-8-9-14-10-13(4)15(16-6-2)11-12(14)3/h5,7,10-11H,6,8-9H2,1-4H3/b7-5-
InChIKeyBWEVKJWUXZGCDR-ALCCZGGFSA-N
MW218.34 g/mol
LogP4.21
Rot. Bonds5

About 1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene

1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene (PubChem CID 83940881) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene
PubChem CID83940881
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene
SMILESC/C=C\CCc1cc(C)c(OCC)cc1C
InChIInChI=1S/C15H22O/c1-5-7-8-9-14-10-13(4)15(16-6-2)11-12(14)3/h5,7,10-11H,6,8-9H2,1-4H3/b7-5-
InChIKeyBWEVKJWUXZGCDR-ALCCZGGFSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.21
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-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene
CID 83936665
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82350381
5-(4-ethoxy-2,5-dimethylphenyl)pentanenitrile
CID 98014651
2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane
CID 83940889
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate
CID 143220496
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
(2-ethoxy-4,5-dimethylphenyl)methanol
CID 131316252
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate
CID 83940906

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene?
The IUPAC name of 1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene (CID 83940881) is 1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene.
What is the SMILES notation for 1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene?
The canonical SMILES for 1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene is C/C=C\CCc1cc(C)c(OCC)cc1C.
What is the InChIKey of 1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene?
The InChIKey is BWEVKJWUXZGCDR-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H22O/c1-5-7-8-9-14-10-13(4)15(16-6-2)11-12(14)3/h5,7,10-11H,6,8-9H2,1-4H3/b7-5-.
What are the key properties of 1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene?
1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene has a molecular weight of 218.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene is sourced from PubChem (CID 83940881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).