2,6-dimethyl-8-phenylmethoxyoct-2-enal

C17H24O2 — CID 71442461

IUPAC2,6-dimethyl-8-phenylmethoxyoct-2-enal
SMILESCC(C=O)=CCCC(C)CCOCc1ccccc1
InChIInChI=1S/C17H24O2/c1-15(7-6-8-16(2)13-18)11-12-19-14-17-9-4-3-5-10-17/h3-5,8-10,13,15H,6-7,11-12,14H2,1-2H3
InChIKeyZTHPXRIXGXSZFX-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.15
Rot. Bonds9

About 2,6-dimethyl-8-phenylmethoxyoct-2-enal

2,6-dimethyl-8-phenylmethoxyoct-2-enal (PubChem CID 71442461) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,6-dimethyl-8-phenylmethoxyoct-2-enal.

Molecular Properties

Compound Name2,6-dimethyl-8-phenylmethoxyoct-2-enal
PubChem CID71442461
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2,6-dimethyl-8-phenylmethoxyoct-2-enal
SMILESCC(C=O)=CCCC(C)CCOCc1ccccc1
InChIInChI=1S/C17H24O2/c1-15(7-6-8-16(2)13-18)11-12-19-14-17-9-4-3-5-10-17/h3-5,8-10,13,15H,6-7,11-12,14H2,1-2H3
InChIKeyZTHPXRIXGXSZFX-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 130035859
[(E,3S)-3,7-dimethyl-8-oxooct-6-enyl] (E,3S)-3,7-dimethyl-8-oxooct-6-enoate
CID 12047373
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CID 121429527
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
3-(2-phenylmethoxyethyl)hept-6-en-2-one
CID 102459142
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane
CID 175085284
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-phenylmethoxyoct-2-enal?
The IUPAC name of 2,6-dimethyl-8-phenylmethoxyoct-2-enal (CID 71442461) is 2,6-dimethyl-8-phenylmethoxyoct-2-enal.
What is the SMILES notation for 2,6-dimethyl-8-phenylmethoxyoct-2-enal?
The canonical SMILES for 2,6-dimethyl-8-phenylmethoxyoct-2-enal is CC(C=O)=CCCC(C)CCOCc1ccccc1.
What is the InChIKey of 2,6-dimethyl-8-phenylmethoxyoct-2-enal?
The InChIKey is ZTHPXRIXGXSZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-15(7-6-8-16(2)13-18)11-12-19-14-17-9-4-3-5-10-17/h3-5,8-10,13,15H,6-7,11-12,14H2,1-2H3.
What are the key properties of 2,6-dimethyl-8-phenylmethoxyoct-2-enal?
2,6-dimethyl-8-phenylmethoxyoct-2-enal has a molecular weight of 260.38 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-phenylmethoxyoct-2-enal is sourced from PubChem (CID 71442461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).