3-(methoxymethoxy)hex-5-ynylbenzene

C14H18O2 — CID 139249095

IUPAC3-(methoxymethoxy)hex-5-ynylbenzene
SMILESC#CCC(CCc1ccccc1)OCOC
InChIInChI=1S/C14H18O2/c1-3-7-14(16-12-15-2)11-10-13-8-5-4-6-9-13/h1,4-6,8-9,14H,7,10-12H2,2H3
InChIKeyPUISFLIZDWLPKN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.63
Rot. Bonds7

About 3-(methoxymethoxy)hex-5-ynylbenzene

3-(methoxymethoxy)hex-5-ynylbenzene (PubChem CID 139249095) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(methoxymethoxy)hex-5-ynylbenzene.

Molecular Properties

Compound Name3-(methoxymethoxy)hex-5-ynylbenzene
PubChem CID139249095
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(methoxymethoxy)hex-5-ynylbenzene
SMILESC#CCC(CCc1ccccc1)OCOC
InChIInChI=1S/C14H18O2/c1-3-7-14(16-12-15-2)11-10-13-8-5-4-6-9-13/h1,4-6,8-9,14H,7,10-12H2,2H3
InChIKeyPUISFLIZDWLPKN-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096
oct-1-yn-4-yloxymethylbenzene
CID 154226048
N-(4-phenylbutan-2-yl)pent-4-yn-2-amine
CID 115664215
(3R,4R)-4-(methoxymethoxy)-3-phenylmethoxyhept-6-yn-2-ol
CID 102482255
2-(methoxymethoxy)propylbenzene
CID 11367357
(3-methyl-4-methylperoxybutyl)benzene
CID 88945155
3,5-diethoxypentylbenzene
CID 156769250
benzyl N-(methoxymethyl)-N-(1-phenylhex-5-yn-3-yl)carbamate
CID 102590654
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
1-methoxy-4-[(3S)-5-phenylpent-1-yn-3-yl]oxybenzene
CID 134967057
[[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene
CID 12026980
1-phenylhept-6-yn-3-ol
CID 63657298

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)hex-5-ynylbenzene?
The IUPAC name of 3-(methoxymethoxy)hex-5-ynylbenzene (CID 139249095) is 3-(methoxymethoxy)hex-5-ynylbenzene.
What is the SMILES notation for 3-(methoxymethoxy)hex-5-ynylbenzene?
The canonical SMILES for 3-(methoxymethoxy)hex-5-ynylbenzene is C#CCC(CCc1ccccc1)OCOC.
What is the InChIKey of 3-(methoxymethoxy)hex-5-ynylbenzene?
The InChIKey is PUISFLIZDWLPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-7-14(16-12-15-2)11-10-13-8-5-4-6-9-13/h1,4-6,8-9,14H,7,10-12H2,2H3.
What are the key properties of 3-(methoxymethoxy)hex-5-ynylbenzene?
3-(methoxymethoxy)hex-5-ynylbenzene has a molecular weight of 218.30 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)hex-5-ynylbenzene is sourced from PubChem (CID 139249095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).