3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene

C17H22O2 — CID 10611241

IUPAC3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene
SMILESC=CCO[C@@H](C)C(C=C)(C=C)OCc1ccccc1
InChIInChI=1S/C17H22O2/c1-5-13-18-15(4)17(6-2,7-3)19-14-16-11-9-8-10-12-16/h5-12,15H,1-3,13-14H2,4H3/t15-/m0/s1
InChIKeyGCNUOUVUMQRHIF-HNNXBMFYSA-N
MW258.36 g/mol
LogP3.91
Rot. Bonds9

About 3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene

3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene (PubChem CID 10611241) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene.

Molecular Properties

Compound Name3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene
PubChem CID10611241
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene
SMILESC=CCO[C@@H](C)C(C=C)(C=C)OCc1ccccc1
InChIInChI=1S/C17H22O2/c1-5-13-18-15(4)17(6-2,7-3)19-14-16-11-9-8-10-12-16/h5-12,15H,1-3,13-14H2,4H3/t15-/m0/s1
InChIKeyGCNUOUVUMQRHIF-HNNXBMFYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.91
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

4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
(3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene
CID 10978456
carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene
CID 135050161
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
[(2S)-3,3-dimethylbutan-2-yl]oxymethylbenzene;ethane
CID 143788890
1-chloroprop-2-enoxymethylbenzene
CID 175273540
2-methyl-2-phenylmethoxypent-4-en-1-ol
CID 14683661
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069
[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
CID 71496897
1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene
CID 164669353

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene?
The IUPAC name of 3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene (CID 10611241) is 3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene.
What is the SMILES notation for 3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene?
The canonical SMILES for 3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene is C=CCO[C@@H](C)C(C=C)(C=C)OCc1ccccc1.
What is the InChIKey of 3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene?
The InChIKey is GCNUOUVUMQRHIF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22O2/c1-5-13-18-15(4)17(6-2,7-3)19-14-16-11-9-8-10-12-16/h5-12,15H,1-3,13-14H2,4H3/t15-/m0/s1.
What are the key properties of 3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene?
3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene has a molecular weight of 258.36 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene is sourced from PubChem (CID 10611241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).