2-(oct-1-en-2-yloxymethoxy)ethanol

C11H22O3 — CID 87894197

IUPAC2-(oct-1-en-2-yloxymethoxy)ethanol
SMILESC=C(CCCCCC)OCOCCO
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-11(2)14-10-13-9-8-12/h12H,2-10H2,1H3
InChIKeyGPYBZSLBNRGJEI-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.45
Rot. Bonds10

About 2-(oct-1-en-2-yloxymethoxy)ethanol

2-(oct-1-en-2-yloxymethoxy)ethanol (PubChem CID 87894197) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-(oct-1-en-2-yloxymethoxy)ethanol.

Molecular Properties

Compound Name2-(oct-1-en-2-yloxymethoxy)ethanol
PubChem CID87894197
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-(oct-1-en-2-yloxymethoxy)ethanol
SMILESC=C(CCCCCC)OCOCCO
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-11(2)14-10-13-9-8-12/h12H,2-10H2,1H3
InChIKeyGPYBZSLBNRGJEI-UHFFFAOYSA-N
XLogP2.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-icos-1-en-2-yloxyethanol
CID 141375140
1-oct-1-en-2-yloxydodecane
CID 58247133
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane
CID 14616115
ethane;3-[heptyl(6-undec-1-en-2-yloxyhexyl)amino]propan-1-ol;propane
CID 170615596
2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100959671
2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
2-tetradecoxyethanol
CID 16491
2-dodecoxyethanol
CID 24750
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
2-heptoxyethanol
CID 23889
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane
CID 87295984

Frequently Asked Questions

What is the IUPAC name of 2-(oct-1-en-2-yloxymethoxy)ethanol?
The IUPAC name of 2-(oct-1-en-2-yloxymethoxy)ethanol (CID 87894197) is 2-(oct-1-en-2-yloxymethoxy)ethanol.
What is the SMILES notation for 2-(oct-1-en-2-yloxymethoxy)ethanol?
The canonical SMILES for 2-(oct-1-en-2-yloxymethoxy)ethanol is C=C(CCCCCC)OCOCCO.
What is the InChIKey of 2-(oct-1-en-2-yloxymethoxy)ethanol?
The InChIKey is GPYBZSLBNRGJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-4-5-6-7-11(2)14-10-13-9-8-12/h12H,2-10H2,1H3.
What are the key properties of 2-(oct-1-en-2-yloxymethoxy)ethanol?
2-(oct-1-en-2-yloxymethoxy)ethanol has a molecular weight of 202.29 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oct-1-en-2-yloxymethoxy)ethanol is sourced from PubChem (CID 87894197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).