ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde

C16H24O3 — CID 144540878

IUPACethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
SMILESC=CC[C@H](COCc1ccccc1)OCC=O.CC
InChIInChI=1S/C14H18O3.C2H6/c1-2-6-14(17-10-9-15)12-16-11-13-7-4-3-5-8-13;1-2/h2-5,7-9,14H,1,6,10-12H2;1-2H3/t14-;/m1./s1
InChIKeyJHABZAHWUFSPHW-PFEQFJNWSA-N
MW264.37 g/mol
LogP3.39
Rot. Bonds9

About ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde

ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde (PubChem CID 144540878) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde.

Molecular Properties

Compound Nameethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
PubChem CID144540878
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Nameethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
SMILESC=CC[C@H](COCc1ccccc1)OCC=O.CC
InChIInChI=1S/C14H18O3.C2H6/c1-2-6-14(17-10-9-15)12-16-11-13-7-4-3-5-8-13;1-2/h2-5,7-9,14H,1,6,10-12H2;1-2H3/t14-;/m1./s1
InChIKeyJHABZAHWUFSPHW-PFEQFJNWSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine
CID 144540879
N-benzyl-2-(1-phenylmethoxypent-4-en-2-yloxy)ethanimine oxide
CID 14979664
[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
CID 10514563
N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine
CID 166843275
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
(3S,4S)-3,4-dimethyl-5-phenylmethoxypentanal
CID 25098803
[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
CID 42611473
1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene
CID 21317630
1-phenylmethoxypent-4-en-2-ylhydrazine
CID 131026578
(3R)-3-(octadecoxymethyl)-4-phenylmethoxybutanal
CID 163435782
tert-butyl N-[(2S)-3-phenylmethoxy-2-prop-2-enoxypropyl]-N-prop-2-enylcarbamate
CID 171841242
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde?
The IUPAC name of ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde (CID 144540878) is ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde.
What is the SMILES notation for ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde?
The canonical SMILES for ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde is C=CC[C@H](COCc1ccccc1)OCC=O.CC.
What is the InChIKey of ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde?
The InChIKey is JHABZAHWUFSPHW-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H18O3.C2H6/c1-2-6-14(17-10-9-15)12-16-11-13-7-4-3-5-8-13;1-2/h2-5,7-9,14H,1,6,10-12H2;1-2H3/t14-;/m1./s1.
What are the key properties of ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde?
ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde has a molecular weight of 264.37 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde is sourced from PubChem (CID 144540878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).