10-phenylmethoxydec-4-ynal

C17H22O2 — CID 10988968

IUPAC10-phenylmethoxydec-4-ynal
SMILESO=CCCC#CCCCCCOCc1ccccc1
InChIInChI=1S/C17H22O2/c18-14-10-5-3-1-2-4-6-11-15-19-16-17-12-8-7-9-13-17/h7-9,12-14H,2,4-6,10-11,15-16H2
InChIKeyAJVFPRQGHWMTOL-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.75
Rot. Bonds9

About 10-phenylmethoxydec-4-ynal

10-phenylmethoxydec-4-ynal (PubChem CID 10988968) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 10-phenylmethoxydec-4-ynal.

Molecular Properties

Compound Name10-phenylmethoxydec-4-ynal
PubChem CID10988968
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name10-phenylmethoxydec-4-ynal
SMILESO=CCCC#CCCCCCOCc1ccccc1
InChIInChI=1S/C17H22O2/c18-14-10-5-3-1-2-4-6-11-15-19-16-17-12-8-7-9-13-17/h7-9,12-14H,2,4-6,10-11,15-16H2
InChIKeyAJVFPRQGHWMTOL-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-phenylmethoxydec-4-ynal?
The IUPAC name of 10-phenylmethoxydec-4-ynal (CID 10988968) is 10-phenylmethoxydec-4-ynal.
What is the SMILES notation for 10-phenylmethoxydec-4-ynal?
The canonical SMILES for 10-phenylmethoxydec-4-ynal is O=CCCC#CCCCCCOCc1ccccc1.
What is the InChIKey of 10-phenylmethoxydec-4-ynal?
The InChIKey is AJVFPRQGHWMTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-14-10-5-3-1-2-4-6-11-15-19-16-17-12-8-7-9-13-17/h7-9,12-14H,2,4-6,10-11,15-16H2.
What are the key properties of 10-phenylmethoxydec-4-ynal?
10-phenylmethoxydec-4-ynal has a molecular weight of 258.36 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylmethoxydec-4-ynal is sourced from PubChem (CID 10988968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).