(4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene

C17H32O3 — CID 72710091

IUPAC(4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene
SMILESCCOC(COC(C)C[C@H]1CC=C(C)C1(C)C)OCC
InChIInChI=1S/C17H32O3/c1-7-18-16(19-8-2)12-20-14(4)11-15-10-9-13(3)17(15,5)6/h9,14-16H,7-8,10-12H2,1-6H3/t14?,15-/m1/s1
InChIKeyWPKHTUIPHAFEPG-YSSOQSIOSA-N
MW284.44 g/mol
LogP4.17
Rot. Bonds9

About (4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene

(4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene (PubChem CID 72710091) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene.

Molecular Properties

Compound Name(4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene
PubChem CID72710091
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene
SMILESCCOC(COC(C)C[C@H]1CC=C(C)C1(C)C)OCC
InChIInChI=1S/C17H32O3/c1-7-18-16(19-8-2)12-20-14(4)11-15-10-9-13(3)17(15,5)6/h9,14-16H,7-8,10-12H2,1-6H3/t14?,15-/m1/s1
InChIKeyWPKHTUIPHAFEPG-YSSOQSIOSA-N
XLogP4.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene?
The IUPAC name of (4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene (CID 72710091) is (4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene.
What is the SMILES notation for (4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene?
The canonical SMILES for (4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene is CCOC(COC(C)C[C@H]1CC=C(C)C1(C)C)OCC.
What is the InChIKey of (4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene?
The InChIKey is WPKHTUIPHAFEPG-YSSOQSIOSA-N. The full InChI is InChI=1S/C17H32O3/c1-7-18-16(19-8-2)12-20-14(4)11-15-10-9-13(3)17(15,5)6/h9,14-16H,7-8,10-12H2,1-6H3/t14?,15-/m1/s1.
What are the key properties of (4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene?
(4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene has a molecular weight of 284.44 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(2,2-diethoxyethoxy)propyl]-1,5,5-trimethylcyclopentene is sourced from PubChem (CID 72710091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).