undec-10-ynoxymethoxymethylbenzene

C19H28O2 — CID 156529711

IUPACundec-10-ynoxymethoxymethylbenzene
SMILESC#CCCCCCCCCCOCOCc1ccccc1
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18-21-17-19-14-11-10-12-15-19/h1,10-12,14-15H,3-9,13,16-18H2
InChIKeyBTZBMBLCKTWAJT-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.93
Rot. Bonds13

About undec-10-ynoxymethoxymethylbenzene

undec-10-ynoxymethoxymethylbenzene (PubChem CID 156529711) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is undec-10-ynoxymethoxymethylbenzene.

Molecular Properties

Compound Nameundec-10-ynoxymethoxymethylbenzene
PubChem CID156529711
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Nameundec-10-ynoxymethoxymethylbenzene
SMILESC#CCCCCCCCCCOCOCc1ccccc1
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18-21-17-19-14-11-10-12-15-19/h1,10-12,14-15H,3-9,13,16-18H2
InChIKeyBTZBMBLCKTWAJT-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.93
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tridec-12-ynoxymethylbenzene
CID 87241604
2,3-bis(hexadec-15-ynoxy)propoxymethylbenzene
CID 85364376
but-3-ynoxymethylbenzene
CID 11008213
[3-oct-7-ynoxy-2-[16-(1-oct-7-ynoxy-3-phenylmethoxypropan-2-yl)oxyhexadeca-7,9-diynoxy]propoxy]methylbenzene
CID 11967202
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
icos-13-ynoxymethylbenzene
CID 134976299
hexadec-11-ynoxymethylbenzene
CID 134976298
1-methoxy-4-(2-pentadec-14-ynoxyethoxymethyl)benzene
CID 162744243
N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine
CID 130855690
6-iodohex-5-ynoxymethylbenzene
CID 132537074
lithium pentoxymethoxymethylbenzene
CID 172535131
8-(ethoxymethoxy)oct-1-yne
CID 156529670

Frequently Asked Questions

What is the IUPAC name of undec-10-ynoxymethoxymethylbenzene?
The IUPAC name of undec-10-ynoxymethoxymethylbenzene (CID 156529711) is undec-10-ynoxymethoxymethylbenzene.
What is the SMILES notation for undec-10-ynoxymethoxymethylbenzene?
The canonical SMILES for undec-10-ynoxymethoxymethylbenzene is C#CCCCCCCCCCOCOCc1ccccc1.
What is the InChIKey of undec-10-ynoxymethoxymethylbenzene?
The InChIKey is BTZBMBLCKTWAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18-21-17-19-14-11-10-12-15-19/h1,10-12,14-15H,3-9,13,16-18H2.
What are the key properties of undec-10-ynoxymethoxymethylbenzene?
undec-10-ynoxymethoxymethylbenzene has a molecular weight of 288.43 g/mol, XLogP of 4.93, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-ynoxymethoxymethylbenzene is sourced from PubChem (CID 156529711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).