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

C14H20O — CID 83941974

IUPAC2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene
SMILESC=CCC(C)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H20O/c1-6-7-11(3)13-9-10(2)8-12(4)14(13)15-5/h6,8-9,11H,1,7H2,2-5H3
InChIKeyRUNHQMFFJWCPAM-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.99
Rot. Bonds4

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

2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene (PubChem CID 83941974) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene.

Molecular Properties

Compound Name2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene
PubChem CID83941974
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene
SMILESC=CCC(C)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H20O/c1-6-7-11(3)13-9-10(2)8-12(4)14(13)15-5/h6,8-9,11H,1,7H2,2-5H3
InChIKeyRUNHQMFFJWCPAM-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-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene
CID 83940128
3-(3-tert-butyl-2-methoxy-5-methylphenyl)butanal
CID 117374437
2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene
CID 83941973
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948093
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
1-methoxy-2-methyl-4-(2-methylbut-3-en-2-yloxy)-5-[(2R)-pent-4-en-2-yl]benzene
CID 177256799
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
1-(2-methoxy-3,5-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315636
4-amino-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutanoic acid
CID 116938182

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene?
The IUPAC name of 2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene (CID 83941974) is 2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene.
What is the SMILES notation for 2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene?
The canonical SMILES for 2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene is C=CCC(C)c1cc(C)cc(C)c1OC.
What is the InChIKey of 2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene?
The InChIKey is RUNHQMFFJWCPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-6-7-11(3)13-9-10(2)8-12(4)14(13)15-5/h6,8-9,11H,1,7H2,2-5H3.
What are the key properties of 2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene?
2-methoxy-1,5-dimethyl-3-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 2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene is sourced from PubChem (CID 83941974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).