[(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene

C14H20O2 — CID 101026940

IUPAC[(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene
SMILESC=C(C)[C@H](C)[C@@H](COc1ccccc1)OC
InChIInChI=1S/C14H20O2/c1-11(2)12(3)14(15-4)10-16-13-8-6-5-7-9-13/h5-9,12,14H,1,10H2,2-4H3/t12-,14+/m0/s1
InChIKeyCWKMAQDXZSQMAV-GXTWGEPZSA-N
MW220.31 g/mol
LogP3.29
Rot. Bonds6

About [(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene

[(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene (PubChem CID 101026940) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene.

Molecular Properties

Compound Name[(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene
PubChem CID101026940
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene
SMILESC=C(C)[C@H](C)[C@@H](COc1ccccc1)OC
InChIInChI=1S/C14H20O2/c1-11(2)12(3)14(15-4)10-16-13-8-6-5-7-9-13/h5-9,12,14H,1,10H2,2-4H3/t12-,14+/m0/s1
InChIKeyCWKMAQDXZSQMAV-GXTWGEPZSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene?
The IUPAC name of [(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene (CID 101026940) is [(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene.
What is the SMILES notation for [(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene?
The canonical SMILES for [(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene is C=C(C)[C@H](C)[C@@H](COc1ccccc1)OC.
What is the InChIKey of [(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene?
The InChIKey is CWKMAQDXZSQMAV-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)12(3)14(15-4)10-16-13-8-6-5-7-9-13/h5-9,12,14H,1,10H2,2-4H3/t12-,14+/m0/s1.
What are the key properties of [(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene?
[(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene has a molecular weight of 220.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene is sourced from PubChem (CID 101026940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).