[2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene

C27H36O2 — CID 11632573

IUPAC[2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene
SMILESC=CC(CC)(COCc1ccccc1)CC(C=C)(CC)COCc1ccccc1
InChIInChI=1S/C27H36O2/c1-5-26(6-2,22-28-19-24-15-11-9-12-16-24)21-27(7-3,8-4)23-29-20-25-17-13-10-14-18-25/h5,7,9-18H,1,3,6,8,19-23H2,2,4H3
InChIKeyBAYHPFWRKJOQQD-UHFFFAOYSA-N
MW392.58 g/mol
LogP6.97
Rot. Bonds14

About [2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene

[2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene (PubChem CID 11632573) has the molecular formula C27H36O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is [2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene.

Molecular Properties

Compound Name[2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene
PubChem CID11632573
Molecular FormulaC27H36O2
Molecular Weight392.58 g/mol
Exact Mass392.27
IUPAC Name[2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene
SMILESC=CC(CC)(COCc1ccccc1)CC(C=C)(CC)COCc1ccccc1
InChIInChI=1S/C27H36O2/c1-5-26(6-2,22-28-19-24-15-11-9-12-16-24)21-27(7-3,8-4)23-29-20-25-17-13-10-14-18-25/h5,7,9-18H,1,3,6,8,19-23H2,2,4H3
InChIKeyBAYHPFWRKJOQQD-UHFFFAOYSA-N
XLogP6.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene?
The IUPAC name of [2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene (CID 11632573) is [2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene.
What is the SMILES notation for [2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene?
The canonical SMILES for [2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene is C=CC(CC)(COCc1ccccc1)CC(C=C)(CC)COCc1ccccc1.
What is the InChIKey of [2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene?
The InChIKey is BAYHPFWRKJOQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2/c1-5-26(6-2,22-28-19-24-15-11-9-12-16-24)21-27(7-3,8-4)23-29-20-25-17-13-10-14-18-25/h5,7,9-18H,1,3,6,8,19-23H2,2,4H3.
What are the key properties of [2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene?
[2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene has a molecular weight of 392.58 g/mol, XLogP of 6.97, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene is sourced from PubChem (CID 11632573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).