(3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol

C10H18O4 — CID 10488314

IUPAC(3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol
SMILESC#CC[C@H](O)CCOCOCCOC
InChIInChI=1S/C10H18O4/c1-3-4-10(11)5-6-13-9-14-8-7-12-2/h1,10-11H,4-9H2,2H3/t10-/m0/s1
InChIKeyQORUOBFPUPQLJR-JTQLQIEISA-N
MW202.25 g/mol
LogP0.40
Rot. Bonds9

About (3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol

(3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol (PubChem CID 10488314) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol
PubChem CID10488314
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol
SMILESC#CC[C@H](O)CCOCOCCOC
InChIInChI=1S/C10H18O4/c1-3-4-10(11)5-6-13-9-14-8-7-12-2/h1,10-11H,4-9H2,2H3/t10-/m0/s1
InChIKeyQORUOBFPUPQLJR-JTQLQIEISA-N
XLogP0.40
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-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 (3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol?
The IUPAC name of (3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol (CID 10488314) is (3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol.
What is the SMILES notation for (3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol?
The canonical SMILES for (3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol is C#CC[C@H](O)CCOCOCCOC.
What is the InChIKey of (3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol?
The InChIKey is QORUOBFPUPQLJR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18O4/c1-3-4-10(11)5-6-13-9-14-8-7-12-2/h1,10-11H,4-9H2,2H3/t10-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol?
(3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol has a molecular weight of 202.25 g/mol, XLogP of 0.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol is sourced from PubChem (CID 10488314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).