6-(methoxymethoxy)hex-1-yn-3-ol

C8H14O3 — CID 138967847

IUPAC6-(methoxymethoxy)hex-1-yn-3-ol
SMILESC#CC(O)CCCOCOC
InChIInChI=1S/C8H14O3/c1-3-8(9)5-4-6-11-7-10-2/h1,8-9H,4-7H2,2H3
InChIKeyYKAILXPPVAGODN-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.38
Rot. Bonds6

About 6-(methoxymethoxy)hex-1-yn-3-ol

6-(methoxymethoxy)hex-1-yn-3-ol (PubChem CID 138967847) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 6-(methoxymethoxy)hex-1-yn-3-ol.

Molecular Properties

Compound Name6-(methoxymethoxy)hex-1-yn-3-ol
PubChem CID138967847
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name6-(methoxymethoxy)hex-1-yn-3-ol
SMILESC#CC(O)CCCOCOC
InChIInChI=1S/C8H14O3/c1-3-8(9)5-4-6-11-7-10-2/h1,8-9H,4-7H2,2H3
InChIKeyYKAILXPPVAGODN-UHFFFAOYSA-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': '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 6-(methoxymethoxy)hex-1-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

Related Compounds

(2S)-1-(methoxymethoxy)hept-5-yn-2-ol
CID 138970081
6-Ethoxy-4-(methoxymethoxy)hex-5-yn-1-ol
CID 85699195
1,1-Diethoxyhex-5-yn-3-ol
CID 15030846
(3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol
CID 59063188
6-(Pentoxymethoxy)hex-3-yn-1-ol
CID 164728484
(3S)-1-(2-methoxyethoxymethoxy)hex-5-yn-3-ol
CID 10488314
3-(Methoxymethoxy)pent-4-yn-1-ol
CID 10920631
(3R)-3-(methoxymethoxy)hex-5-yn-1-ol
CID 10953788
(3S,4S)-4-(methoxymethoxy)-3-methylhex-5-yn-1-ol
CID 11052105
9-(Methoxymethoxy)non-4-yn-1-ol
CID 11983659
6,6-Dimethoxyhex-1-yn-3-ol
CID 15083744
1,1-Dimethoxyhex-5-yn-2-ol
CID 65987278

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)hex-1-yn-3-ol?
The IUPAC name of 6-(methoxymethoxy)hex-1-yn-3-ol (CID 138967847) is 6-(methoxymethoxy)hex-1-yn-3-ol.
What is the SMILES notation for 6-(methoxymethoxy)hex-1-yn-3-ol?
The canonical SMILES for 6-(methoxymethoxy)hex-1-yn-3-ol is C#CC(O)CCCOCOC.
What is the InChIKey of 6-(methoxymethoxy)hex-1-yn-3-ol?
The InChIKey is YKAILXPPVAGODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-8(9)5-4-6-11-7-10-2/h1,8-9H,4-7H2,2H3.
What are the key properties of 6-(methoxymethoxy)hex-1-yn-3-ol?
6-(methoxymethoxy)hex-1-yn-3-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 6-(methoxymethoxy)hex-1-yn-3-ol is sourced from PubChem (CID 138967847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).