(10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol

C21H18O — CID 22462935

IUPAC(10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol
SMILESOC1C#CCCCCC#C/C1=C\c1ccc2ccccc2c1
InChIInChI=1S/C21H18O/c22-21-12-6-4-2-1-3-5-11-20(21)16-17-13-14-18-9-7-8-10-19(18)15-17/h7-10,13-16,21-22H,1-4H2/b20-16+
InChIKeyWEAMARWRTAQOEU-CAPFRKAQSA-N
MW286.37 g/mol
LogP4.16
Rot. Bonds1

About (10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol

(10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol (PubChem CID 22462935) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is (10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol.

Molecular Properties

Compound Name(10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol
PubChem CID22462935
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name(10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol
SMILESOC1C#CCCCCC#C/C1=C\c1ccc2ccccc2c1
InChIInChI=1S/C21H18O/c22-21-12-6-4-2-1-3-5-11-20(21)16-17-13-14-18-9-7-8-10-19(18)15-17/h7-10,13-16,21-22H,1-4H2/b20-16+
InChIKeyWEAMARWRTAQOEU-CAPFRKAQSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol?
The IUPAC name of (10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol (CID 22462935) is (10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol.
What is the SMILES notation for (10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol?
The canonical SMILES for (10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol is OC1C#CCCCCC#C/C1=C\c1ccc2ccccc2c1.
What is the InChIKey of (10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol?
The InChIKey is WEAMARWRTAQOEU-CAPFRKAQSA-N. The full InChI is InChI=1S/C21H18O/c22-21-12-6-4-2-1-3-5-11-20(21)16-17-13-14-18-9-7-8-10-19(18)15-17/h7-10,13-16,21-22H,1-4H2/b20-16+.
What are the key properties of (10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol?
(10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol has a molecular weight of 286.37 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol is sourced from PubChem (CID 22462935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).