[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene

C13H18O2 — CID 101457567

IUPAC[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
SMILESC=CC[C@@H](Cc1ccccc1)OCOC
InChIInChI=1S/C13H18O2/c1-3-7-13(15-11-14-2)10-12-8-5-4-6-9-12/h3-6,8-9,13H,1,7,10-11H2,2H3/t13-/m0/s1
InChIKeyLOSVCELSILMVAG-ZDUSSCGKSA-N
MW206.28 g/mol
LogP2.79
Rot. Bonds7

About [(2S)-2-(methoxymethoxy)pent-4-enyl]benzene

[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene (PubChem CID 101457567) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is [(2S)-2-(methoxymethoxy)pent-4-enyl]benzene.

Molecular Properties

Compound Name[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
PubChem CID101457567
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
SMILESC=CC[C@@H](Cc1ccccc1)OCOC
InChIInChI=1S/C13H18O2/c1-3-7-13(15-11-14-2)10-12-8-5-4-6-9-12/h3-6,8-9,13H,1,7,10-11H2,2H3/t13-/m0/s1
InChIKeyLOSVCELSILMVAG-ZDUSSCGKSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethoxy)pent-4-enyl]benzene?
The IUPAC name of [(2S)-2-(methoxymethoxy)pent-4-enyl]benzene (CID 101457567) is [(2S)-2-(methoxymethoxy)pent-4-enyl]benzene.
What is the SMILES notation for [(2S)-2-(methoxymethoxy)pent-4-enyl]benzene?
The canonical SMILES for [(2S)-2-(methoxymethoxy)pent-4-enyl]benzene is C=CC[C@@H](Cc1ccccc1)OCOC.
What is the InChIKey of [(2S)-2-(methoxymethoxy)pent-4-enyl]benzene?
The InChIKey is LOSVCELSILMVAG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-7-13(15-11-14-2)10-12-8-5-4-6-9-12/h3-6,8-9,13H,1,7,10-11H2,2H3/t13-/m0/s1.
What are the key properties of [(2S)-2-(methoxymethoxy)pent-4-enyl]benzene?
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene has a molecular weight of 206.28 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethoxy)pent-4-enyl]benzene is sourced from PubChem (CID 101457567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).