(3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol

C11H18O2 — CID 124703307

IUPAC(3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol
SMILESC#C[C@@H](O)C(C)(C)COCC(=C)C
InChIInChI=1S/C11H18O2/c1-6-10(12)11(4,5)8-13-7-9(2)3/h1,10,12H,2,7-8H2,3-5H3/t10-/m1/s1
InChIKeyIGKRFXZMGVEUNE-SNVBAGLBSA-N
MW182.26 g/mol
LogP1.60
Rot. Bonds5

About (3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol

(3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol (PubChem CID 124703307) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol.

Molecular Properties

Compound Name(3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol
PubChem CID124703307
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol
SMILESC#C[C@@H](O)C(C)(C)COCC(=C)C
InChIInChI=1S/C11H18O2/c1-6-10(12)11(4,5)8-13-7-9(2)3/h1,10,12H,2,7-8H2,3-5H3/t10-/m1/s1
InChIKeyIGKRFXZMGVEUNE-SNVBAGLBSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol?
The IUPAC name of (3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol (CID 124703307) is (3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol.
What is the SMILES notation for (3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol?
The canonical SMILES for (3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol is C#C[C@@H](O)C(C)(C)COCC(=C)C.
What is the InChIKey of (3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol?
The InChIKey is IGKRFXZMGVEUNE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18O2/c1-6-10(12)11(4,5)8-13-7-9(2)3/h1,10,12H,2,7-8H2,3-5H3/t10-/m1/s1.
What are the key properties of (3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol?
(3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol has a molecular weight of 182.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol is sourced from PubChem (CID 124703307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).