(3R)-3-(methoxymethoxy)hex-5-yn-1-ol

C8H14O3 — CID 10953788

IUPAC(3R)-3-(methoxymethoxy)hex-5-yn-1-ol
SMILESC#CC[C@H](CCO)OCOC
InChIInChI=1S/C8H14O3/c1-3-4-8(5-6-9)11-7-10-2/h1,8-9H,4-7H2,2H3/t8-/m1/s1
InChIKeyMYTMYRRFZVPNCF-MRVPVSSYSA-N
MW158.20 g/mol
LogP0.38
Rot. Bonds6

About (3R)-3-(methoxymethoxy)hex-5-yn-1-ol

(3R)-3-(methoxymethoxy)hex-5-yn-1-ol (PubChem CID 10953788) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3R)-3-(methoxymethoxy)hex-5-yn-1-ol.

Molecular Properties

Compound Name(3R)-3-(methoxymethoxy)hex-5-yn-1-ol
PubChem CID10953788
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3R)-3-(methoxymethoxy)hex-5-yn-1-ol
SMILESC#CC[C@H](CCO)OCOC
InChIInChI=1S/C8H14O3/c1-3-4-8(5-6-9)11-7-10-2/h1,8-9H,4-7H2,2H3/t8-/m1/s1
InChIKeyMYTMYRRFZVPNCF-MRVPVSSYSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethoxy)hex-5-yn-1-ol?
The IUPAC name of (3R)-3-(methoxymethoxy)hex-5-yn-1-ol (CID 10953788) is (3R)-3-(methoxymethoxy)hex-5-yn-1-ol.
What is the SMILES notation for (3R)-3-(methoxymethoxy)hex-5-yn-1-ol?
The canonical SMILES for (3R)-3-(methoxymethoxy)hex-5-yn-1-ol is C#CC[C@H](CCO)OCOC.
What is the InChIKey of (3R)-3-(methoxymethoxy)hex-5-yn-1-ol?
The InChIKey is MYTMYRRFZVPNCF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-8(5-6-9)11-7-10-2/h1,8-9H,4-7H2,2H3/t8-/m1/s1.
What are the key properties of (3R)-3-(methoxymethoxy)hex-5-yn-1-ol?
(3R)-3-(methoxymethoxy)hex-5-yn-1-ol has a molecular weight of 158.20 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethoxy)hex-5-yn-1-ol is sourced from PubChem (CID 10953788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).