(2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol

C14H26O2 — CID 163049458

IUPAC(2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol
SMILESCCC/C=C/[C@]1(CC)C[C@H](CC)[C@](C)(O)O1
InChIInChI=1S/C14H26O2/c1-5-8-9-10-14(7-3)11-12(6-2)13(4,15)16-14/h9-10,12,15H,5-8,11H2,1-4H3/b10-9+/t12-,13+,14+/m0/s1
InChIKeyYUFOLFJAYLDZGK-VAOFQHHVSA-N
MW226.36 g/mol
LogP3.65
Rot. Bonds5

About (2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol

(2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol (PubChem CID 163049458) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol.

Molecular Properties

Compound Name(2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol
PubChem CID163049458
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol
SMILESCCC/C=C/[C@]1(CC)C[C@H](CC)[C@](C)(O)O1
InChIInChI=1S/C14H26O2/c1-5-8-9-10-14(7-3)11-12(6-2)13(4,15)16-14/h9-10,12,15H,5-8,11H2,1-4H3/b10-9+/t12-,13+,14+/m0/s1
InChIKeyYUFOLFJAYLDZGK-VAOFQHHVSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol?
The IUPAC name of (2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol (CID 163049458) is (2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol.
What is the SMILES notation for (2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol?
The canonical SMILES for (2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol is CCC/C=C/[C@]1(CC)C[C@H](CC)[C@](C)(O)O1.
What is the InChIKey of (2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol?
The InChIKey is YUFOLFJAYLDZGK-VAOFQHHVSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-8-9-10-14(7-3)11-12(6-2)13(4,15)16-14/h9-10,12,15H,5-8,11H2,1-4H3/b10-9+/t12-,13+,14+/m0/s1.
What are the key properties of (2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol?
(2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-3,5-diethyl-2-methyl-5-[(E)-pent-1-enyl]oxolan-2-ol is sourced from PubChem (CID 163049458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).