1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene

C14H20 — CID 143022578

IUPAC1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene
SMILESC/C=C(\C)C(C)(C)c1ccc(C)cc1
InChIInChI=1S/C14H20/c1-6-12(3)14(4,5)13-9-7-11(2)8-10-13/h6-10H,1-5H3/b12-6+
InChIKeyDSNDDFVRUGFDJO-WUXMJOGZSA-N
MW188.31 g/mol
LogP4.24
Rot. Bonds2

About 1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene

1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene (PubChem CID 143022578) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene
PubChem CID143022578
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene
SMILESC/C=C(\C)C(C)(C)c1ccc(C)cc1
InChIInChI=1S/C14H20/c1-6-12(3)14(4,5)13-9-7-11(2)8-10-13/h6-10H,1-5H3/b12-6+
InChIKeyDSNDDFVRUGFDJO-WUXMJOGZSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene?
The IUPAC name of 1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene (CID 143022578) is 1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene is C/C=C(\C)C(C)(C)c1ccc(C)cc1.
What is the InChIKey of 1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene?
The InChIKey is DSNDDFVRUGFDJO-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H20/c1-6-12(3)14(4,5)13-9-7-11(2)8-10-13/h6-10H,1-5H3/b12-6+.
What are the key properties of 1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene?
1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene is sourced from PubChem (CID 143022578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).