(2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol

C9H18O3 — CID 100946656

IUPAC(2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol
SMILESC=C[C@](C)(CO)OCCC(C)O
InChIInChI=1S/C9H18O3/c1-4-9(3,7-10)12-6-5-8(2)11/h4,8,10-11H,1,5-7H2,2-3H3/t8?,9-/m1/s1
InChIKeyUUVKMZYPKJPJGI-YGPZHTELSA-N
MW174.24 g/mol
LogP0.71
Rot. Bonds6

About (2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol

(2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol (PubChem CID 100946656) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name(2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol
PubChem CID100946656
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol
SMILESC=C[C@](C)(CO)OCCC(C)O
InChIInChI=1S/C9H18O3/c1-4-9(3,7-10)12-6-5-8(2)11/h4,8,10-11H,1,5-7H2,2-3H3/t8?,9-/m1/s1
InChIKeyUUVKMZYPKJPJGI-YGPZHTELSA-N
XLogP0.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol?
The IUPAC name of (2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol (CID 100946656) is (2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol.
What is the SMILES notation for (2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol?
The canonical SMILES for (2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol is C=C[C@](C)(CO)OCCC(C)O.
What is the InChIKey of (2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol?
The InChIKey is UUVKMZYPKJPJGI-YGPZHTELSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-9(3,7-10)12-6-5-8(2)11/h4,8,10-11H,1,5-7H2,2-3H3/t8?,9-/m1/s1.
What are the key properties of (2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol?
(2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol has a molecular weight of 174.24 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol is sourced from PubChem (CID 100946656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).