4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol

C11H18F2O4 — CID 10562743

IUPAC4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol
SMILESC=C(C)C(O)C(F)(F)C(=C)OCOCCOC
InChIInChI=1S/C11H18F2O4/c1-8(2)10(14)11(12,13)9(3)17-7-16-6-5-15-4/h10,14H,1,3,5-7H2,2,4H3
InChIKeyGHYDIBOVBRSJIF-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.71
Rot. Bonds9

About 4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol

4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol (PubChem CID 10562743) has the molecular formula C11H18F2O4 and a molecular weight of 252.26 g/mol. Its IUPAC name is 4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol
PubChem CID10562743
Molecular FormulaC11H18F2O4
Molecular Weight252.26 g/mol
Exact Mass252.12
IUPAC Name4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol
SMILESC=C(C)C(O)C(F)(F)C(=C)OCOCCOC
InChIInChI=1S/C11H18F2O4/c1-8(2)10(14)11(12,13)9(3)17-7-16-6-5-15-4/h10,14H,1,3,5-7H2,2,4H3
InChIKeyGHYDIBOVBRSJIF-UHFFFAOYSA-N
XLogP1.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol
CID 10779109
2-(2-methoxyethoxy)ethoxymethyl acetate
CID 87088322
1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene
CID 10540693
1-O-[2-(2-methoxyethoxy)ethyl] 2-O-[2-[2-(3-methylbut-3-enoyloxy)ethoxy]ethyl] oxalate
CID 146182065
ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate
CID 11208462
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 91716907
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate
CID 157080818
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoylcarbamoyloxymethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl N-(2-methylprop-2-enoyl)carbamate
CID 118477482
2-(2-methoxyethoxymethoxy)ethanamine
CID 19350391
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol?
The IUPAC name of 4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol (CID 10562743) is 4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol.
What is the SMILES notation for 4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol?
The canonical SMILES for 4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol is C=C(C)C(O)C(F)(F)C(=C)OCOCCOC.
What is the InChIKey of 4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol?
The InChIKey is GHYDIBOVBRSJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O4/c1-8(2)10(14)11(12,13)9(3)17-7-16-6-5-15-4/h10,14H,1,3,5-7H2,2,4H3.
What are the key properties of 4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol?
4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol has a molecular weight of 252.26 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol is sourced from PubChem (CID 10562743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).