6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol

C14H25FO2 — CID 91173322

IUPAC6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol
SMILESC=CC(=CCC(C)C(C)O)OCC(C)(F)CC
InChIInChI=1S/C14H25FO2/c1-6-13(9-8-11(3)12(4)16)17-10-14(5,15)7-2/h6,9,11-12,16H,1,7-8,10H2,2-5H3
InChIKeyOTBPAXXTSFJAJJ-UHFFFAOYSA-N
MW244.35 g/mol
LogP3.62
Rot. Bonds8

About 6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol

6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol (PubChem CID 91173322) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is 6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol.

Molecular Properties

Compound Name6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol
PubChem CID91173322
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Name6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol
SMILESC=CC(=CCC(C)C(C)O)OCC(C)(F)CC
InChIInChI=1S/C14H25FO2/c1-6-13(9-8-11(3)12(4)16)17-10-14(5,15)7-2/h6,9,11-12,16H,1,7-8,10H2,2-5H3
InChIKeyOTBPAXXTSFJAJJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-ol
CID 68381664
6-Ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol
CID 89269461
6-(2-Fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol
CID 90947577
1-[5-(2,2-Difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol
CID 91431007
1-(6-Fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol
CID 163789143
1-[4-(Trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol
CID 163893644
3-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]cyclobutan-1-ol
CID 176700854
(E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol
CID 14983107
1-[6-Fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol
CID 162597694
4-Butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol
CID 59271521
(4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol
CID 89044583
(3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol
CID 89380514

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol?
The IUPAC name of 6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol (CID 91173322) is 6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol.
What is the SMILES notation for 6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol?
The canonical SMILES for 6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol is C=CC(=CCC(C)C(C)O)OCC(C)(F)CC.
What is the InChIKey of 6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol?
The InChIKey is OTBPAXXTSFJAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO2/c1-6-13(9-8-11(3)12(4)16)17-10-14(5,15)7-2/h6,9,11-12,16H,1,7-8,10H2,2-5H3.
What are the key properties of 6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol?
6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol has a molecular weight of 244.35 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol is sourced from PubChem (CID 91173322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).