[(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene

C14H18O — CID 145420997

IUPAC[(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene
SMILESC=C(OC/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C14H18O/c1-12(2)13(3)15-11-7-10-14-8-5-4-6-9-14/h4-10,12H,3,11H2,1-2H3/b10-7+
InChIKeyCRYPSSUBQPEESV-JXMROGBWSA-N
MW202.30 g/mol
LogP3.89
Rot. Bonds5

About [(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene

[(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene (PubChem CID 145420997) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is [(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene
PubChem CID145420997
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name[(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene
SMILESC=C(OC/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C14H18O/c1-12(2)13(3)15-11-7-10-14-8-5-4-6-9-14/h4-10,12H,3,11H2,1-2H3/b10-7+
InChIKeyCRYPSSUBQPEESV-JXMROGBWSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxopentanoate
CID 11086061
1-(3-phenylprop-2-enoxy)propan-2-ol
CID 70377991
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
dimethyl-[2-oxo-2-(3-phenylprop-2-enoxy)ethyl]azanium chloride
CID 143304619
3-phenylprop-2-enyl 2-(chloromethyl)prop-2-enoate
CID 57238060
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
CID 20693228
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene?
The IUPAC name of [(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene (CID 145420997) is [(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene is C=C(OC/C=C/c1ccccc1)C(C)C.
What is the InChIKey of [(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene?
The InChIKey is CRYPSSUBQPEESV-JXMROGBWSA-N. The full InChI is InChI=1S/C14H18O/c1-12(2)13(3)15-11-7-10-14-8-5-4-6-9-14/h4-10,12H,3,11H2,1-2H3/b10-7+.
What are the key properties of [(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene?
[(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene has a molecular weight of 202.30 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene is sourced from PubChem (CID 145420997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).