[(2R)-nonadec-4-yn-2-yl]oxymethylbenzene

C26H42O — CID 175428150

IUPAC[(2R)-nonadec-4-yn-2-yl]oxymethylbenzene
SMILESCCCCCCCCCCCCCCC#CC[C@@H](C)OCc1ccccc1
InChIInChI=1S/C26H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(2)27-24-26-22-19-17-20-23-26/h17,19-20,22-23,25H,3-15,21,24H2,1-2H3/t25-/m1/s1
InChIKeyYYMPBHLHCDONRJ-RUZDIDTESA-N
MW370.62 g/mol
LogP8.08
Rot. Bonds16

About [(2R)-nonadec-4-yn-2-yl]oxymethylbenzene

[(2R)-nonadec-4-yn-2-yl]oxymethylbenzene (PubChem CID 175428150) has the molecular formula C26H42O and a molecular weight of 370.62 g/mol. Its IUPAC name is [(2R)-nonadec-4-yn-2-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(2R)-nonadec-4-yn-2-yl]oxymethylbenzene
PubChem CID175428150
Molecular FormulaC26H42O
Molecular Weight370.62 g/mol
Exact Mass370.32
IUPAC Name[(2R)-nonadec-4-yn-2-yl]oxymethylbenzene
SMILESCCCCCCCCCCCCCCC#CC[C@@H](C)OCc1ccccc1
InChIInChI=1S/C26H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(2)27-24-26-22-19-17-20-23-26/h17,19-20,22-23,25H,3-15,21,24H2,1-2H3/t25-/m1/s1
InChIKeyYYMPBHLHCDONRJ-RUZDIDTESA-N
XLogP8.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

icos-13-ynoxymethylbenzene
CID 134976299
dec-3-ynylbenzene
CID 13130420
hexadec-11-ynoxymethylbenzene
CID 134976298
benzyl tetradec-3-ynoate
CID 12027074
1-phenylmethoxydecan-1-ol
CID 152749890
1-heptoxy-1-phenylmethoxypropan-2-ol
CID 70426834
1-butoxypropan-2-yloxymethylbenzene
CID 12963722
2-methyldec-3-ynylbenzene
CID 102174838
1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene
CID 139657430
pentadec-2-ynyl(triphenyl)phosphanium
CID 21293733
butan-2-yloxymethylbenzene;ethane
CID 161043537
N-(2-phenylmethoxypropyl)butan-1-amine
CID 62566134

Frequently Asked Questions

What is the IUPAC name of [(2R)-nonadec-4-yn-2-yl]oxymethylbenzene?
The IUPAC name of [(2R)-nonadec-4-yn-2-yl]oxymethylbenzene (CID 175428150) is [(2R)-nonadec-4-yn-2-yl]oxymethylbenzene.
What is the SMILES notation for [(2R)-nonadec-4-yn-2-yl]oxymethylbenzene?
The canonical SMILES for [(2R)-nonadec-4-yn-2-yl]oxymethylbenzene is CCCCCCCCCCCCCCC#CC[C@@H](C)OCc1ccccc1.
What is the InChIKey of [(2R)-nonadec-4-yn-2-yl]oxymethylbenzene?
The InChIKey is YYMPBHLHCDONRJ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(2)27-24-26-22-19-17-20-23-26/h17,19-20,22-23,25H,3-15,21,24H2,1-2H3/t25-/m1/s1.
What are the key properties of [(2R)-nonadec-4-yn-2-yl]oxymethylbenzene?
[(2R)-nonadec-4-yn-2-yl]oxymethylbenzene has a molecular weight of 370.62 g/mol, XLogP of 8.08, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-nonadec-4-yn-2-yl]oxymethylbenzene is sourced from PubChem (CID 175428150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).