2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane

C30H34O5 — CID 71520522

IUPAC2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane
SMILESC(#Cc1ccccc1COC1CCCCO1)COCC#Cc1ccccc1COC1CCCCO1
InChIInChI=1S/C30H34O5/c1-3-13-27(23-34-29-17-5-7-21-32-29)25(11-1)15-9-19-31-20-10-16-26-12-2-4-14-28(26)24-35-30-18-6-8-22-33-30/h1-4,11-14,29-30H,5-8,17-24H2
InChIKeyBIYDFLHNZNFTCQ-UHFFFAOYSA-N
MW474.60 g/mol
LogP5.19
Rot. Bonds8

About 2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane

2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane (PubChem CID 71520522) has the molecular formula C30H34O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane.

Molecular Properties

Compound Name2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane
PubChem CID71520522
Molecular FormulaC30H34O5
Molecular Weight474.60 g/mol
Exact Mass474.24
IUPAC Name2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane
SMILESC(#Cc1ccccc1COC1CCCCO1)COCC#Cc1ccccc1COC1CCCCO1
InChIInChI=1S/C30H34O5/c1-3-13-27(23-34-29-17-5-7-21-32-29)25(11-1)15-9-19-31-20-10-16-26-12-2-4-14-28(26)24-35-30-18-6-8-22-33-30/h1-4,11-14,29-30H,5-8,17-24H2
InChIKeyBIYDFLHNZNFTCQ-UHFFFAOYSA-N
XLogP5.19
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol
CID 15647828
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2-(3-naphthalen-1-ylprop-2-ynoxy)oxane
CID 146003722
2-(3-phenylprop-2-ynoxy)oxane
CID 11665682
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600
4-[2-(cyclopentyloxymethyl)phenyl]but-3-yn-1-ol
CID 54969805
3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969852
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 131748739
2-(4-phenoxybut-2-ynoxy)oxane
CID 19849494
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane?
The IUPAC name of 2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane (CID 71520522) is 2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane.
What is the SMILES notation for 2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane?
The canonical SMILES for 2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane is C(#Cc1ccccc1COC1CCCCO1)COCC#Cc1ccccc1COC1CCCCO1.
What is the InChIKey of 2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane?
The InChIKey is BIYDFLHNZNFTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O5/c1-3-13-27(23-34-29-17-5-7-21-32-29)25(11-1)15-9-19-31-20-10-16-26-12-2-4-14-28(26)24-35-30-18-6-8-22-33-30/h1-4,11-14,29-30H,5-8,17-24H2.
What are the key properties of 2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane?
2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane has a molecular weight of 474.60 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane is sourced from PubChem (CID 71520522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).