1-(2-methoxyethoxy)hept-6-yn-3-ol

C10H18O3 — CID 102927511

IUPAC1-(2-methoxyethoxy)hept-6-yn-3-ol
SMILESC#CCCC(O)CCOCCOC
InChIInChI=1S/C10H18O3/c1-3-4-5-10(11)6-7-13-9-8-12-2/h1,10-11H,4-9H2,2H3
InChIKeyVVZKUJHGUOPLTE-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.81
Rot. Bonds8

About 1-(2-methoxyethoxy)hept-6-yn-3-ol

1-(2-methoxyethoxy)hept-6-yn-3-ol (PubChem CID 102927511) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)hept-6-yn-3-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)hept-6-yn-3-ol
PubChem CID102927511
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(2-methoxyethoxy)hept-6-yn-3-ol
SMILESC#CCCC(O)CCOCCOC
InChIInChI=1S/C10H18O3/c1-3-4-5-10(11)6-7-13-9-8-12-2/h1,10-11H,4-9H2,2H3
InChIKeyVVZKUJHGUOPLTE-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol
CID 123384991
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol
CID 103407606
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
1-(2-methoxyethoxy)oct-7-yn-3-one
CID 102927462
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)hept-6-yn-3-ol?
The IUPAC name of 1-(2-methoxyethoxy)hept-6-yn-3-ol (CID 102927511) is 1-(2-methoxyethoxy)hept-6-yn-3-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)hept-6-yn-3-ol?
The canonical SMILES for 1-(2-methoxyethoxy)hept-6-yn-3-ol is C#CCCC(O)CCOCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)hept-6-yn-3-ol?
The InChIKey is VVZKUJHGUOPLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-5-10(11)6-7-13-9-8-12-2/h1,10-11H,4-9H2,2H3.
What are the key properties of 1-(2-methoxyethoxy)hept-6-yn-3-ol?
1-(2-methoxyethoxy)hept-6-yn-3-ol has a molecular weight of 186.25 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)hept-6-yn-3-ol is sourced from PubChem (CID 102927511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).