1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol

C12H18O4 — CID 14139825

IUPAC1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol
SMILESC#CC1(O)CCCC=C1OCOCCOC
InChIInChI=1S/C12H18O4/c1-3-12(13)7-5-4-6-11(12)16-10-15-9-8-14-2/h1,6,13H,4-5,7-10H2,2H3
InChIKeyBIEZDEDUQQJHHI-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.06
Rot. Bonds6

About 1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol

1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol (PubChem CID 14139825) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol
PubChem CID14139825
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol
SMILESC#CC1(O)CCCC=C1OCOCCOC
InChIInChI=1S/C12H18O4/c1-3-12(13)7-5-4-6-11(12)16-10-15-9-8-14-2/h1,6,13H,4-5,7-10H2,2H3
InChIKeyBIEZDEDUQQJHHI-UHFFFAOYSA-N
XLogP1.06
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.06
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'}

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Related Compounds

(R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol
CID 102050988
7-bromo-5-(2-methoxyethoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 22347862
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
1-ethynyl-2-methylcyclopent-2-en-1-ol
CID 166437842
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 106654780
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 106654785
[5-ethynyl-3-(hydroxymethyl)-2-[2-(2-methoxyethoxy)ethoxy]phenyl]methanol
CID 102421816
1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 91496733
1-[6-(2-methoxyethoxymethoxy)cyclohexa-1,5-dien-1-yl]piperazine
CID 144516697
1-(2-methoxyethoxymethoxy)-2-propan-2-ylbenzene
CID 57457861
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide
CID 91909508

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol?
The IUPAC name of 1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol (CID 14139825) is 1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol?
The canonical SMILES for 1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol is C#CC1(O)CCCC=C1OCOCCOC.
What is the InChIKey of 1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol?
The InChIKey is BIEZDEDUQQJHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-3-12(13)7-5-4-6-11(12)16-10-15-9-8-14-2/h1,6,13H,4-5,7-10H2,2H3.
What are the key properties of 1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol?
1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol has a molecular weight of 226.27 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-ol is sourced from PubChem (CID 14139825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).