1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene

C15H22O — CID 70251776

IUPAC1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene
SMILESCOCC(C)(C)C/C=C/c1cccc(C)c1
InChIInChI=1S/C15H22O/c1-13-7-5-8-14(11-13)9-6-10-15(2,3)12-16-4/h5-9,11H,10,12H2,1-4H3/b9-6+
InChIKeyXIMBBYIOGGIGHL-RMKNXTFCSA-N
MW218.34 g/mol
LogP4.07
Rot. Bonds5

About 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene

1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene (PubChem CID 70251776) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene
PubChem CID70251776
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene
SMILESCOCC(C)(C)C/C=C/c1cccc(C)c1
InChIInChI=1S/C15H22O/c1-13-7-5-8-14(11-13)9-6-10-15(2,3)12-16-4/h5-9,11H,10,12H2,1-4H3/b9-6+
InChIKeyXIMBBYIOGGIGHL-RMKNXTFCSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene?
The IUPAC name of 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene (CID 70251776) is 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene.
What is the SMILES notation for 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene?
The canonical SMILES for 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene is COCC(C)(C)C/C=C/c1cccc(C)c1.
What is the InChIKey of 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene?
The InChIKey is XIMBBYIOGGIGHL-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H22O/c1-13-7-5-8-14(11-13)9-6-10-15(2,3)12-16-4/h5-9,11H,10,12H2,1-4H3/b9-6+.
What are the key properties of 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene?
1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene is sourced from PubChem (CID 70251776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).