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

C14H23FO2 — CID 90947577

IUPAC6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol
SMILESC=CC(=CC=C(C)C(C)O)OCC(C)(F)CC
InChIInChI=1S/C14H23FO2/c1-6-13(9-8-11(3)12(4)16)17-10-14(5,15)7-2/h6,8-9,12,16H,1,7,10H2,2-5H3
InChIKeyZOGNOPXYOUNTIN-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.54
Rot. Bonds7

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

6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol (PubChem CID 90947577) has the molecular formula C14H23FO2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol.

Molecular Properties

Compound Name6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol
PubChem CID90947577
Molecular FormulaC14H23FO2
Molecular Weight242.33 g/mol
Exact Mass242.17
IUPAC Name6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol
SMILESC=CC(=CC=C(C)C(C)O)OCC(C)(F)CC
InChIInChI=1S/C14H23FO2/c1-6-13(9-8-11(3)12(4)16)17-10-14(5,15)7-2/h6,8-9,12,16H,1,7,10H2,2-5H3
InChIKeyZOGNOPXYOUNTIN-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.54
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

(Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol
CID 89416552
6-(2-Fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol
CID 91173322
(2R,3Z)-3-[(E)-2-fluoroprop-1-enyl]-4-methoxy-2-(2-methoxyethoxy)hexa-3,5-dien-1-ol
CID 129160832
(1S)-1-fluoro-1-(7-fluoro-5-pentoxycyclohepta-1,3,5-trien-1-yl)ethanol
CID 139541115
(3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol
CID 142512819
(4E,7E,11Z,15Z)-8,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-pent-4-enoxyoctadeca-4,7,11,15,17-pentaen-2-ol
CID 143772461
(4E,7E,11Z,15Z)-8,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-4,7,11,15,17-pentaen-2-ol
CID 143773228
(4E,7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-4,7,11,15,17-pentaen-2-ol
CID 143773271
4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol
CID 167103519
(4Z,6E)-1,1,1-trifluoro-3-methylidene-7-prop-2-enoxyocta-4,6-dien-2-ol
CID 167181091
2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol
CID 142810090
4-[(3Z,5E)-5-fluoro-7-methylocta-1,3,5-trien-2-yl]oxy-2-methylbutan-2-ol
CID 144441668

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol?
The IUPAC name of 6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol (CID 90947577) is 6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol.
What is the SMILES notation for 6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol?
The canonical SMILES for 6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol is C=CC(=CC=C(C)C(C)O)OCC(C)(F)CC.
What is the InChIKey of 6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol?
The InChIKey is ZOGNOPXYOUNTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO2/c1-6-13(9-8-11(3)12(4)16)17-10-14(5,15)7-2/h6,8-9,12,16H,1,7,10H2,2-5H3.
What are the key properties of 6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol?
6-(2-fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol has a molecular weight of 242.33 g/mol, XLogP of 3.54, 7 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-3,5,7-trien-2-ol is sourced from PubChem (CID 90947577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).