(5R)-11-phenylundec-1-en-6,8-diyn-5-ol

C17H18O — CID 54672664

IUPAC(5R)-11-phenylundec-1-en-6,8-diyn-5-ol
SMILESC=CCC[C@@H](O)C#CC#CCCc1ccccc1
InChIInChI=1S/C17H18O/c1-2-3-14-17(18)15-10-5-4-7-11-16-12-8-6-9-13-16/h2,6,8-9,12-13,17-18H,1,3,7,11,14H2/t17-/m1/s1
InChIKeyZCEAHDWXAWVRMX-QGZVFWFLSA-N
MW238.33 g/mol
LogP2.95
Rot. Bonds5

About (5R)-11-phenylundec-1-en-6,8-diyn-5-ol

(5R)-11-phenylundec-1-en-6,8-diyn-5-ol (PubChem CID 54672664) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is (5R)-11-phenylundec-1-en-6,8-diyn-5-ol.

Molecular Properties

Compound Name(5R)-11-phenylundec-1-en-6,8-diyn-5-ol
PubChem CID54672664
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name(5R)-11-phenylundec-1-en-6,8-diyn-5-ol
SMILESC=CCC[C@@H](O)C#CC#CCCc1ccccc1
InChIInChI=1S/C17H18O/c1-2-3-14-17(18)15-10-5-4-7-11-16-12-8-6-9-13-16/h2,6,8-9,12-13,17-18H,1,3,7,11,14H2/t17-/m1/s1
InChIKeyZCEAHDWXAWVRMX-QGZVFWFLSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 15880988
8-phenyloct-4-yne-1,6-diol
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Frequently Asked Questions

What is the IUPAC name of (5R)-11-phenylundec-1-en-6,8-diyn-5-ol?
The IUPAC name of (5R)-11-phenylundec-1-en-6,8-diyn-5-ol (CID 54672664) is (5R)-11-phenylundec-1-en-6,8-diyn-5-ol.
What is the SMILES notation for (5R)-11-phenylundec-1-en-6,8-diyn-5-ol?
The canonical SMILES for (5R)-11-phenylundec-1-en-6,8-diyn-5-ol is C=CCC[C@@H](O)C#CC#CCCc1ccccc1.
What is the InChIKey of (5R)-11-phenylundec-1-en-6,8-diyn-5-ol?
The InChIKey is ZCEAHDWXAWVRMX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18O/c1-2-3-14-17(18)15-10-5-4-7-11-16-12-8-6-9-13-16/h2,6,8-9,12-13,17-18H,1,3,7,11,14H2/t17-/m1/s1.
What are the key properties of (5R)-11-phenylundec-1-en-6,8-diyn-5-ol?
(5R)-11-phenylundec-1-en-6,8-diyn-5-ol has a molecular weight of 238.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-11-phenylundec-1-en-6,8-diyn-5-ol is sourced from PubChem (CID 54672664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).