7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol

C14H23F3O3 — CID 85265507

IUPAC7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol
SMILESCC(C)=CC(O)CC(COC1CCCCO1)C(F)(F)F
InChIInChI=1S/C14H23F3O3/c1-10(2)7-12(18)8-11(14(15,16)17)9-20-13-5-3-4-6-19-13/h7,11-13,18H,3-6,8-9H2,1-2H3
InChIKeyAXUWQCANQLSSDE-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.43
Rot. Bonds6

About 7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol

7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol (PubChem CID 85265507) has the molecular formula C14H23F3O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol
PubChem CID85265507
Molecular FormulaC14H23F3O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol
SMILESCC(C)=CC(O)CC(COC1CCCCO1)C(F)(F)F
InChIInChI=1S/C14H23F3O3/c1-10(2)7-12(18)8-11(14(15,16)17)9-20-13-5-3-4-6-19-13/h7,11-13,18H,3-6,8-9H2,1-2H3
InChIKeyAXUWQCANQLSSDE-UHFFFAOYSA-N
XLogP3.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
CID 10495766
2-(2-propylpentoxy)oxane
CID 175998246
5-(oxan-2-yloxy)pent-1-en-3-ol
CID 15194608
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
2-(2-butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxane
CID 18927593
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
CID 10775534

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol?
The IUPAC name of 7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol (CID 85265507) is 7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol.
What is the SMILES notation for 7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol?
The canonical SMILES for 7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol is CC(C)=CC(O)CC(COC1CCCCO1)C(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol?
The InChIKey is AXUWQCANQLSSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O3/c1-10(2)7-12(18)8-11(14(15,16)17)9-20-13-5-3-4-6-19-13/h7,11-13,18H,3-6,8-9H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol?
7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol has a molecular weight of 296.33 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol is sourced from PubChem (CID 85265507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).