(1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol

C14H24O3 — CID 15880989

IUPAC(1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol
SMILESCCOC(C#C[C@H](O)C1CCCCC1)OCC
InChIInChI=1S/C14H24O3/c1-3-16-14(17-4-2)11-10-13(15)12-8-6-5-7-9-12/h12-15H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyUNZDQJUVZIKYAW-ZDUSSCGKSA-N
MW240.34 g/mol
LogP2.33
Rot. Bonds5

About (1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol

(1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol (PubChem CID 15880989) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol
PubChem CID15880989
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol
SMILESCCOC(C#C[C@H](O)C1CCCCC1)OCC
InChIInChI=1S/C14H24O3/c1-3-16-14(17-4-2)11-10-13(15)12-8-6-5-7-9-12/h12-15H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyUNZDQJUVZIKYAW-ZDUSSCGKSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol?
The IUPAC name of (1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol (CID 15880989) is (1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol.
What is the SMILES notation for (1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol?
The canonical SMILES for (1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol is CCOC(C#C[C@H](O)C1CCCCC1)OCC.
What is the InChIKey of (1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol?
The InChIKey is UNZDQJUVZIKYAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-16-14(17-4-2)11-10-13(15)12-8-6-5-7-9-12/h12-15H,3-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol?
(1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol has a molecular weight of 240.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-4,4-diethoxybut-2-yn-1-ol is sourced from PubChem (CID 15880989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).