(5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane

C15H28O2 — CID 126737951

IUPAC(5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane
SMILESC=C(CC[C@@]1(C)CCC(C)(C)O1)OC(C)(C)C
InChIInChI=1S/C15H28O2/c1-12(16-13(2,3)4)8-9-15(7)11-10-14(5,6)17-15/h1,8-11H2,2-7H3/t15-/m0/s1
InChIKeyPIWQOBXTPHCOCU-HNNXBMFYSA-N
MW240.39 g/mol
LogP4.44
Rot. Bonds4

About (5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane

(5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane (PubChem CID 126737951) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane.

Molecular Properties

Compound Name(5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane
PubChem CID126737951
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane
SMILESC=C(CC[C@@]1(C)CCC(C)(C)O1)OC(C)(C)C
InChIInChI=1S/C15H28O2/c1-12(16-13(2,3)4)8-9-15(7)11-10-14(5,6)17-15/h1,8-11H2,2-7H3/t15-/m0/s1
InChIKeyPIWQOBXTPHCOCU-HNNXBMFYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane?
The IUPAC name of (5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane (CID 126737951) is (5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane.
What is the SMILES notation for (5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane?
The canonical SMILES for (5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane is C=C(CC[C@@]1(C)CCC(C)(C)O1)OC(C)(C)C.
What is the InChIKey of (5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane?
The InChIKey is PIWQOBXTPHCOCU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(16-13(2,3)4)8-9-15(7)11-10-14(5,6)17-15/h1,8-11H2,2-7H3/t15-/m0/s1.
What are the key properties of (5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane?
(5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane has a molecular weight of 240.39 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,5-trimethyl-5-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]oxolane is sourced from PubChem (CID 126737951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).