11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol

C26H32O — CID 11710234

IUPAC11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol
SMILESOCCCCCCCCCC#CC1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32O/c27-21-15-7-5-3-1-2-4-6-10-20-25-22-26(25,23-16-11-8-12-17-23)24-18-13-9-14-19-24/h8-9,11-14,16-19,25,27H,1-7,15,21-22H2
InChIKeyAKKOSKNMYNXPPN-UHFFFAOYSA-N
MW360.54 g/mol
LogP6.11
Rot. Bonds10

About 11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol

11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol (PubChem CID 11710234) has the molecular formula C26H32O and a molecular weight of 360.54 g/mol. Its IUPAC name is 11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol.

Molecular Properties

Compound Name11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol
PubChem CID11710234
Molecular FormulaC26H32O
Molecular Weight360.54 g/mol
Exact Mass360.25
IUPAC Name11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol
SMILESOCCCCCCCCCC#CC1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32O/c27-21-15-7-5-3-1-2-4-6-10-20-25-22-26(25,23-16-11-8-12-17-23)24-18-13-9-14-19-24/h8-9,11-14,16-19,25,27H,1-7,15,21-22H2
InChIKeyAKKOSKNMYNXPPN-UHFFFAOYSA-N
XLogP6.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol?
The IUPAC name of 11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol (CID 11710234) is 11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol.
What is the SMILES notation for 11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol?
The canonical SMILES for 11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol is OCCCCCCCCCC#CC1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol?
The InChIKey is AKKOSKNMYNXPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O/c27-21-15-7-5-3-1-2-4-6-10-20-25-22-26(25,23-16-11-8-12-17-23)24-18-13-9-14-19-24/h8-9,11-14,16-19,25,27H,1-7,15,21-22H2.
What are the key properties of 11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol?
11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol has a molecular weight of 360.54 g/mol, XLogP of 6.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,2-diphenylcyclopropyl)undec-10-yn-1-ol is sourced from PubChem (CID 11710234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).