(2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol

C9H13FO — CID 145002435

IUPAC(2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol
SMILESC=C(C)/C(F)=C\C=C(/C)CO
InChIInChI=1S/C9H13FO/c1-7(2)9(10)5-4-8(3)6-11/h4-5,11H,1,6H2,2-3H3/b8-4+,9-5+
InChIKeyBGCBANWMDQXQNW-KBXRYBNXSA-N
MW156.20 g/mol
LogP2.35
Rot. Bonds3

About (2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol

(2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol (PubChem CID 145002435) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is (2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol
PubChem CID145002435
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name(2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol
SMILESC=C(C)/C(F)=C\C=C(/C)CO
InChIInChI=1S/C9H13FO/c1-7(2)9(10)5-4-8(3)6-11/h4-5,11H,1,6H2,2-3H3/b8-4+,9-5+
InChIKeyBGCBANWMDQXQNW-KBXRYBNXSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
2-methylprop-2-en-1-ol;zirconium
CID 88651592
(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144678722
(2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol
CID 142076424
(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-triene
CID 142210415
(2E,4Z,6Z)-2-methylocta-2,4,6-trien-1-ol
CID 89381330
(1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene
CID 142858277
(3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene
CID 145172629
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100
(3E)-3-fluoro-2-methylnona-1,3-diene
CID 102212096
2,4-dimethylpent-2-en-1-ol
CID 54511819
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol?
The IUPAC name of (2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol (CID 145002435) is (2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol.
What is the SMILES notation for (2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol?
The canonical SMILES for (2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol is C=C(C)/C(F)=C\C=C(/C)CO.
What is the InChIKey of (2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol?
The InChIKey is BGCBANWMDQXQNW-KBXRYBNXSA-N. The full InChI is InChI=1S/C9H13FO/c1-7(2)9(10)5-4-8(3)6-11/h4-5,11H,1,6H2,2-3H3/b8-4+,9-5+.
What are the key properties of (2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol?
(2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol has a molecular weight of 156.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol is sourced from PubChem (CID 145002435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).