2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol

C14H26O5 — CID 90894108

IUPAC2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol
SMILESCC(=COCCO)CCOCCC(C)=COCCO
InChIInChI=1S/C14H26O5/c1-13(11-18-9-5-15)3-7-17-8-4-14(2)12-19-10-6-16/h11-12,15-16H,3-10H2,1-2H3
InChIKeyHWAFECXZXOVWNS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.61
Rot. Bonds12

About 2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol

2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol (PubChem CID 90894108) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol
PubChem CID90894108
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol
SMILESCC(=COCCO)CCOCCC(C)=COCCO
InChIInChI=1S/C14H26O5/c1-13(11-18-9-5-15)3-7-17-8-4-14(2)12-19-10-6-16/h11-12,15-16H,3-10H2,1-2H3
InChIKeyHWAFECXZXOVWNS-UHFFFAOYSA-N
XLogP1.61
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-propoxypent-2-ene
CID 123743714
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-methyl-1-propoxybut-1-ene
CID 91198308
2-(2-methylbut-2-enoxy)ethanol
CID 87196031
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 174610941
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
CID 159345993
CID 159345993
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
2-(2-methylprop-1-enoxy)ethylphosphane
CID 151289257

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol?
The IUPAC name of 2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol (CID 90894108) is 2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol.
What is the SMILES notation for 2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol?
The canonical SMILES for 2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol is CC(=COCCO)CCOCCC(C)=COCCO.
What is the InChIKey of 2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol?
The InChIKey is HWAFECXZXOVWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-13(11-18-9-5-15)3-7-17-8-4-14(2)12-19-10-6-16/h11-12,15-16H,3-10H2,1-2H3.
What are the key properties of 2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol?
2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol has a molecular weight of 274.36 g/mol, XLogP of 1.61, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyethoxy)-3-methylbut-3-enoxy]-2-methylbut-1-enoxy]ethanol is sourced from PubChem (CID 90894108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).