4,4-bis(methoxymethyl)octa-1,6-diynylbenzene

C18H22O2 — CID 11369250

IUPAC4,4-bis(methoxymethyl)octa-1,6-diynylbenzene
SMILESCC#CCC(CC#Cc1ccccc1)(COC)COC
InChIInChI=1S/C18H22O2/c1-4-5-13-18(15-19-2,16-20-3)14-9-12-17-10-7-6-8-11-17/h6-8,10-11H,13-16H2,1-3H3
InChIKeyCBYLNOKRVFEIPA-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.12
Rot. Bonds6

About 4,4-bis(methoxymethyl)octa-1,6-diynylbenzene

4,4-bis(methoxymethyl)octa-1,6-diynylbenzene (PubChem CID 11369250) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4,4-bis(methoxymethyl)octa-1,6-diynylbenzene.

Molecular Properties

Compound Name4,4-bis(methoxymethyl)octa-1,6-diynylbenzene
PubChem CID11369250
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4,4-bis(methoxymethyl)octa-1,6-diynylbenzene
SMILESCC#CCC(CC#Cc1ccccc1)(COC)COC
InChIInChI=1S/C18H22O2/c1-4-5-13-18(15-19-2,16-20-3)14-9-12-17-10-7-6-8-11-17/h6-8,10-11H,13-16H2,1-3H3
InChIKeyCBYLNOKRVFEIPA-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-1-ynylbenzene
CID 142310164
2-methoxycarbonyl-2-methyl-5-phenylpent-4-ynoic acid
CID 114899644
3-but-2-ynylsulfonylprop-1-ynylbenzene
CID 86057005
(2R)-1-iodo-2-(methoxymethyl)-4-phenylbut-3-yn-2-ol
CID 10710485
dimethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-enylpropanedioate
CID 11196924
2,2,5-triphenylpent-4-ynenitrile
CID 10402967
3-(2,2,2-trifluoroethoxy)prop-1-ynylbenzene
CID 100928911
(3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane
CID 11807842
1,3-dimethoxy-5-(3-phenylprop-2-ynyl)benzene
CID 67418685
dimethyl 2-[(Z)-4-hydroxybut-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioate
CID 11220803
dimethyl 2-[3-(2-ethynylphenyl)prop-2-ynyl]-2-(3-phenylprop-2-ynyl)propanedioate
CID 102296955
2,2-dimethylpropan-1-amine;ethane;prop-1-ynylbenzene
CID 143509882

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(methoxymethyl)octa-1,6-diynylbenzene?
The IUPAC name of 4,4-bis(methoxymethyl)octa-1,6-diynylbenzene (CID 11369250) is 4,4-bis(methoxymethyl)octa-1,6-diynylbenzene.
What is the SMILES notation for 4,4-bis(methoxymethyl)octa-1,6-diynylbenzene?
The canonical SMILES for 4,4-bis(methoxymethyl)octa-1,6-diynylbenzene is CC#CCC(CC#Cc1ccccc1)(COC)COC.
What is the InChIKey of 4,4-bis(methoxymethyl)octa-1,6-diynylbenzene?
The InChIKey is CBYLNOKRVFEIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-5-13-18(15-19-2,16-20-3)14-9-12-17-10-7-6-8-11-17/h6-8,10-11H,13-16H2,1-3H3.
What are the key properties of 4,4-bis(methoxymethyl)octa-1,6-diynylbenzene?
4,4-bis(methoxymethyl)octa-1,6-diynylbenzene has a molecular weight of 270.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methoxymethyl)octa-1,6-diynylbenzene is sourced from PubChem (CID 11369250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).