(3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene

C10H15FO — CID 143320133

IUPAC(3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene
SMILESC=C(F)/C=C(/OC(C)C)C(=C)C
InChIInChI=1S/C10H15FO/c1-7(2)10(6-9(5)11)12-8(3)4/h6,8H,1,5H2,2-4H3/b10-6+
InChIKeyBTJYEIMVVKXNJR-UXBLZVDNSA-N
MW170.23 g/mol
LogP3.35
Rot. Bonds4

About (3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene

(3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene (PubChem CID 143320133) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene
PubChem CID143320133
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene
SMILESC=C(F)/C=C(/OC(C)C)C(=C)C
InChIInChI=1S/C10H15FO/c1-7(2)10(6-9(5)11)12-8(3)4/h6,8H,1,5H2,2-4H3/b10-6+
InChIKeyBTJYEIMVVKXNJR-UXBLZVDNSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(3Z)-3,4-difluoro-5-methoxy-2,6-dimethylhepta-1,3,5-triene
CID 88565170
1-Ethoxy-4,5-difluoro-6-methylidenecyclohexa-1,3-diene
CID 89020439
2-Methyl-4-(2,2,2-trifluoroethoxy)penta-1,3-diene
CID 91122464
3,4-Difluoro-5-methoxy-2,6-dimethylhepta-1,3,5-triene
CID 123168046
2-Fluoro-5-methoxy-4-methylhepta-1,3,5-triene
CID 123272230
2-Methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene
CID 123350494
5-(2-Fluoropropan-2-yloxy)-2,6-dimethylocta-1,3,5-triene
CID 123433108
4-Methoxy-2-(trifluoromethyl)hexa-1,3,5-triene
CID 123436173
1-Fluoro-6-methyl-5-propan-2-yloxyocta-1,3,5-triene
CID 123438716
3-Ethoxy-2-fluoro-1-methylcyclohexa-1,3-diene
CID 123523594
6,6-Difluoro-3-methoxy-5-methylhepta-2,4-diene
CID 123602472
4-Ethoxy-2-methyl-3-(trifluoromethyl)hepta-2,4-diene
CID 123721486

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene?
The IUPAC name of (3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene (CID 143320133) is (3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene.
What is the SMILES notation for (3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene?
The canonical SMILES for (3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene is C=C(F)/C=C(/OC(C)C)C(=C)C.
What is the InChIKey of (3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene?
The InChIKey is BTJYEIMVVKXNJR-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H15FO/c1-7(2)10(6-9(5)11)12-8(3)4/h6,8H,1,5H2,2-4H3/b10-6+.
What are the key properties of (3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene?
(3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene has a molecular weight of 170.23 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene is sourced from PubChem (CID 143320133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).