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

C13H22F2O4 — CID 10779109

IUPAC(5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol
SMILESC=C(C)C(O)C(F)(F)/C(=C/CC)OCOCCOC
InChIInChI=1S/C13H22F2O4/c1-5-6-11(19-9-18-8-7-17-4)13(14,15)12(16)10(2)3/h6,12,16H,2,5,7-9H2,1,3-4H3/b11-6-
InChIKeyKLSWXTBISIQRMK-WDZFZDKYSA-N
MW280.31 g/mol
LogP2.49
Rot. Bonds10

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

(5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol (PubChem CID 10779109) has the molecular formula C13H22F2O4 and a molecular weight of 280.31 g/mol. Its IUPAC name is (5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol.

Molecular Properties

Compound Name(5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol
PubChem CID10779109
Molecular FormulaC13H22F2O4
Molecular Weight280.31 g/mol
Exact Mass280.15
IUPAC Name(5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol
SMILESC=C(C)C(O)C(F)(F)/C(=C/CC)OCOCCOC
InChIInChI=1S/C13H22F2O4/c1-5-6-11(19-9-18-8-7-17-4)13(14,15)12(16)10(2)3/h6,12,16H,2,5,7-9H2,1,3-4H3/b11-6-
InChIKeyKLSWXTBISIQRMK-WDZFZDKYSA-N
XLogP2.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.49
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

4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol
CID 10562743
2-(2-methoxyethoxy)ethoxymethyl acetate
CID 87088322
1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene
CID 10540693
(Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene
CID 23242476
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 91716907
ethyl 6-(2-methoxyethoxymethoxy)-3-prop-1-en-2-ylhexanoate
CID 11208462
ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate
CID 157080818
triethyl-[(E)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-enyl]silane
CID 177442971
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
2-methoxyethyl 4,4,4-trifluoro-3-oxobutanoate
CID 139223532
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730617

Frequently Asked Questions

What is the IUPAC name of (5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol?
The IUPAC name of (5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol (CID 10779109) is (5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol.
What is the SMILES notation for (5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol?
The canonical SMILES for (5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol is C=C(C)C(O)C(F)(F)/C(=C/CC)OCOCCOC.
What is the InChIKey of (5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol?
The InChIKey is KLSWXTBISIQRMK-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H22F2O4/c1-5-6-11(19-9-18-8-7-17-4)13(14,15)12(16)10(2)3/h6,12,16H,2,5,7-9H2,1,3-4H3/b11-6-.
What are the key properties of (5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol?
(5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol has a molecular weight of 280.31 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylocta-1,5-dien-3-ol is sourced from PubChem (CID 10779109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).