[(E,1S)-1-methoxybut-2-enyl]benzene

C11H14O — CID 129385395

IUPAC[(E,1S)-1-methoxybut-2-enyl]benzene
SMILESC/C=C/[C@H](OC)c1ccccc1
InChIInChI=1S/C11H14O/c1-3-7-11(12-2)10-8-5-4-6-9-10/h3-9,11H,1-2H3/b7-3+/t11-/m0/s1
InChIKeySGUADOZKVVHBSI-KTROKBFUSA-N
MW162.23 g/mol
LogP2.95
Rot. Bonds3

About [(E,1S)-1-methoxybut-2-enyl]benzene

[(E,1S)-1-methoxybut-2-enyl]benzene (PubChem CID 129385395) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is [(E,1S)-1-methoxybut-2-enyl]benzene.

Molecular Properties

Compound Name[(E,1S)-1-methoxybut-2-enyl]benzene
PubChem CID129385395
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name[(E,1S)-1-methoxybut-2-enyl]benzene
SMILESC/C=C/[C@H](OC)c1ccccc1
InChIInChI=1S/C11H14O/c1-3-7-11(12-2)10-8-5-4-6-9-10/h3-9,11H,1-2H3/b7-3+/t11-/m0/s1
InChIKeySGUADOZKVVHBSI-KTROKBFUSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.95
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

[(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene
CID 164672506
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
1-methoxyprop-2-enylbenzene
CID 11029990
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
[(Z)-1-phenylbut-2-enyl] 2-methoxyacetate
CID 15261942
tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
CID 101242327
[(E)-1-phenylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 102052023
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
CID 101008842
CID 101008842
[(Z)-1-methoxydec-2-en-4-ynyl]benzene
CID 101124945
1-methylsulfanylbut-2-enylbenzene
CID 146497381
1-phenylpent-3-ene-1,2-diol
CID 72819461

Frequently Asked Questions

What is the IUPAC name of [(E,1S)-1-methoxybut-2-enyl]benzene?
The IUPAC name of [(E,1S)-1-methoxybut-2-enyl]benzene (CID 129385395) is [(E,1S)-1-methoxybut-2-enyl]benzene.
What is the SMILES notation for [(E,1S)-1-methoxybut-2-enyl]benzene?
The canonical SMILES for [(E,1S)-1-methoxybut-2-enyl]benzene is C/C=C/[C@H](OC)c1ccccc1.
What is the InChIKey of [(E,1S)-1-methoxybut-2-enyl]benzene?
The InChIKey is SGUADOZKVVHBSI-KTROKBFUSA-N. The full InChI is InChI=1S/C11H14O/c1-3-7-11(12-2)10-8-5-4-6-9-10/h3-9,11H,1-2H3/b7-3+/t11-/m0/s1.
What are the key properties of [(E,1S)-1-methoxybut-2-enyl]benzene?
[(E,1S)-1-methoxybut-2-enyl]benzene has a molecular weight of 162.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1S)-1-methoxybut-2-enyl]benzene is sourced from PubChem (CID 129385395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).