oct-1-en-3-yloxymethoxymethylbenzene

C16H24O2 — CID 561879

IUPACoct-1-en-3-yloxymethoxymethylbenzene
SMILESC=CC(CCCCC)OCOCc1ccccc1
InChIInChI=1S/C16H24O2/c1-3-5-7-12-16(4-2)18-14-17-13-15-10-8-6-9-11-15/h4,6,8-11,16H,2-3,5,7,12-14H2,1H3
InChIKeyHCXIDQAHMCETNA-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.31
Rot. Bonds10

About oct-1-en-3-yloxymethoxymethylbenzene

oct-1-en-3-yloxymethoxymethylbenzene (PubChem CID 561879) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is oct-1-en-3-yloxymethoxymethylbenzene.

Molecular Properties

Compound Nameoct-1-en-3-yloxymethoxymethylbenzene
PubChem CID561879
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Nameoct-1-en-3-yloxymethoxymethylbenzene
SMILESC=CC(CCCCC)OCOCc1ccccc1
InChIInChI=1S/C16H24O2/c1-3-5-7-12-16(4-2)18-14-17-13-15-10-8-6-9-11-15/h4,6,8-11,16H,2-3,5,7,12-14H2,1H3
InChIKeyHCXIDQAHMCETNA-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-dodec-1-en-3-yloxy-1-phenylethyl)benzene
CID 172735190
[(2S)-2-ethenylhexoxy]methylbenzene
CID 50898080
(3S)-3-(phenylmethoxymethoxy)tetradecanoic acid
CID 56629457
4-phenylmethoxyhex-5-en-1-ol
CID 25098808
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
2-octadecan-5-yloxyethoxymethylbenzene
CID 122548106
(4R,5S,8S)-5-ethenyl-4,8-bis(phenylmethoxy)tridec-6-enal
CID 86746684
12,12-diheptoxydodec-1-enoxymethoxymethylbenzene
CID 163205468
7,7-didecoxyhept-1-enoxymethoxymethylbenzene
CID 162392443
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
2-ethenyltetradecylbenzene
CID 173452613
1-phenylmethoxydecan-1-ol
CID 152749890

Frequently Asked Questions

What is the IUPAC name of oct-1-en-3-yloxymethoxymethylbenzene?
The IUPAC name of oct-1-en-3-yloxymethoxymethylbenzene (CID 561879) is oct-1-en-3-yloxymethoxymethylbenzene.
What is the SMILES notation for oct-1-en-3-yloxymethoxymethylbenzene?
The canonical SMILES for oct-1-en-3-yloxymethoxymethylbenzene is C=CC(CCCCC)OCOCc1ccccc1.
What is the InChIKey of oct-1-en-3-yloxymethoxymethylbenzene?
The InChIKey is HCXIDQAHMCETNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-5-7-12-16(4-2)18-14-17-13-15-10-8-6-9-11-15/h4,6,8-11,16H,2-3,5,7,12-14H2,1H3.
What are the key properties of oct-1-en-3-yloxymethoxymethylbenzene?
oct-1-en-3-yloxymethoxymethylbenzene has a molecular weight of 248.37 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-en-3-yloxymethoxymethylbenzene is sourced from PubChem (CID 561879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).