(2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol

C21H34O3 — CID 11290574

IUPAC(2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol
SMILESC=C[C@](CO)(CCCCCCCCC)OCc1ccc(OC)cc1
InChIInChI=1S/C21H34O3/c1-4-6-7-8-9-10-11-16-21(5-2,18-22)24-17-19-12-14-20(23-3)15-13-19/h5,12-15,22H,2,4,6-11,16-18H2,1,3H3/t21-/m1/s1
InChIKeyKSTCAOLULMKWND-OAQYLSRUSA-N
MW334.50 g/mol
LogP5.27
Rot. Bonds14

About (2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol

(2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol (PubChem CID 11290574) has the molecular formula C21H34O3 and a molecular weight of 334.50 g/mol. Its IUPAC name is (2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol.

Molecular Properties

Compound Name(2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol
PubChem CID11290574
Molecular FormulaC21H34O3
Molecular Weight334.50 g/mol
Exact Mass334.25
IUPAC Name(2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol
SMILESC=C[C@](CO)(CCCCCCCCC)OCc1ccc(OC)cc1
InChIInChI=1S/C21H34O3/c1-4-6-7-8-9-10-11-16-21(5-2,18-22)24-17-19-12-14-20(23-3)15-13-19/h5,12-15,22H,2,4,6-11,16-18H2,1,3H3/t21-/m1/s1
InChIKeyKSTCAOLULMKWND-OAQYLSRUSA-N
XLogP5.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-[(E)-dec-3-enyl]-4-methoxybenzene
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol?
The IUPAC name of (2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol (CID 11290574) is (2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol.
What is the SMILES notation for (2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol?
The canonical SMILES for (2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol is C=C[C@](CO)(CCCCCCCCC)OCc1ccc(OC)cc1.
What is the InChIKey of (2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol?
The InChIKey is KSTCAOLULMKWND-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H34O3/c1-4-6-7-8-9-10-11-16-21(5-2,18-22)24-17-19-12-14-20(23-3)15-13-19/h5,12-15,22H,2,4,6-11,16-18H2,1,3H3/t21-/m1/s1.
What are the key properties of (2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol?
(2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol has a molecular weight of 334.50 g/mol, XLogP of 5.27, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol is sourced from PubChem (CID 11290574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).