(4R)-undec-1-en-5-yn-4-ol

C11H18O — CID 11159528

IUPAC(4R)-undec-1-en-5-yn-4-ol
SMILESC=CC[C@@H](O)C#CCCCCC
InChIInChI=1S/C11H18O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,11-12H,2-3,5-7,9H2,1H3/t11-/m1/s1
InChIKeyPZUTZWMCGNPLAB-LLVKDONJSA-N
MW166.26 g/mol
LogP2.51
Rot. Bonds5

About (4R)-undec-1-en-5-yn-4-ol

(4R)-undec-1-en-5-yn-4-ol (PubChem CID 11159528) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4R)-undec-1-en-5-yn-4-ol.

Molecular Properties

Compound Name(4R)-undec-1-en-5-yn-4-ol
PubChem CID11159528
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4R)-undec-1-en-5-yn-4-ol
SMILESC=CC[C@@H](O)C#CCCCCC
InChIInChI=1S/C11H18O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,11-12H,2-3,5-7,9H2,1H3/t11-/m1/s1
InChIKeyPZUTZWMCGNPLAB-LLVKDONJSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-undec-1-en-5-yn-4-ol?
The IUPAC name of (4R)-undec-1-en-5-yn-4-ol (CID 11159528) is (4R)-undec-1-en-5-yn-4-ol.
What is the SMILES notation for (4R)-undec-1-en-5-yn-4-ol?
The canonical SMILES for (4R)-undec-1-en-5-yn-4-ol is C=CC[C@@H](O)C#CCCCCC.
What is the InChIKey of (4R)-undec-1-en-5-yn-4-ol?
The InChIKey is PZUTZWMCGNPLAB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,11-12H,2-3,5-7,9H2,1H3/t11-/m1/s1.
What are the key properties of (4R)-undec-1-en-5-yn-4-ol?
(4R)-undec-1-en-5-yn-4-ol has a molecular weight of 166.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-undec-1-en-5-yn-4-ol is sourced from PubChem (CID 11159528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).