5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene

C14H20O — CID 83940128

IUPAC5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene
SMILESC=CCC(C)c1c(C)cc(OC)cc1C
InChIInChI=1S/C14H20O/c1-6-7-10(2)14-11(3)8-13(15-5)9-12(14)4/h6,8-10H,1,7H2,2-5H3
InChIKeyPYVACGQCUMFZFZ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.99
Rot. Bonds4

About 5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene

5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene (PubChem CID 83940128) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene.

Molecular Properties

Compound Name5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene
PubChem CID83940128
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene
SMILESC=CCC(C)c1c(C)cc(OC)cc1C
InChIInChI=1S/C14H20O/c1-6-7-10(2)14-11(3)8-13(15-5)9-12(14)4/h6,8-10H,1,7H2,2-5H3
InChIKeyPYVACGQCUMFZFZ-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.99
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

2-(4-bromobutan-2-yl)-5-methoxy-1,3-dimethylbenzene
CID 83940053
2-[2-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane
CID 83940144
3-(4-methoxy-2,6-dimethylphenyl)butanethioamide
CID 83940097
2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene
CID 83941974
1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
CID 55275341
N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine
CID 115633047
2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118316335
2-bromo-4-methoxy-1-pent-4-en-2-yloxybenzene
CID 118325435
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine
CID 82048906
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
5-methoxy-3-methyl-2-propan-2-ylphenol
CID 90394378

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene?
The IUPAC name of 5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene (CID 83940128) is 5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene.
What is the SMILES notation for 5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene?
The canonical SMILES for 5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene is C=CCC(C)c1c(C)cc(OC)cc1C.
What is the InChIKey of 5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene?
The InChIKey is PYVACGQCUMFZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-6-7-10(2)14-11(3)8-13(15-5)9-12(14)4/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene?
5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene has a molecular weight of 204.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene is sourced from PubChem (CID 83940128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).