(3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol

C14H23FO — CID 145235005

IUPAC(3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
SMILESC=C(O)/C(F)=C\C(=C)C(C)CCC(C)CC
InChIInChI=1S/C14H23FO/c1-6-10(2)7-8-11(3)12(4)9-14(15)13(5)16/h9-11,16H,4-8H2,1-3H3/b14-9+
InChIKeyDTFHGQJPDZNJTB-NTEUORMPSA-N
MW226.33 g/mol
LogP4.93
Rot. Bonds7

About (3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol

(3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol (PubChem CID 145235005) has the molecular formula C14H23FO and a molecular weight of 226.33 g/mol. Its IUPAC name is (3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol.

Molecular Properties

Compound Name(3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
PubChem CID145235005
Molecular FormulaC14H23FO
Molecular Weight226.33 g/mol
Exact Mass226.17
IUPAC Name(3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
SMILESC=C(O)/C(F)=C\C(=C)C(C)CCC(C)CC
InChIInChI=1S/C14H23FO/c1-6-10(2)7-8-11(3)12(4)9-14(15)13(5)16/h9-11,16H,4-8H2,1-3H3/b14-9+
InChIKeyDTFHGQJPDZNJTB-NTEUORMPSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol?
The IUPAC name of (3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol (CID 145235005) is (3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol.
What is the SMILES notation for (3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol?
The canonical SMILES for (3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol is C=C(O)/C(F)=C\C(=C)C(C)CCC(C)CC.
What is the InChIKey of (3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol?
The InChIKey is DTFHGQJPDZNJTB-NTEUORMPSA-N. The full InChI is InChI=1S/C14H23FO/c1-6-10(2)7-8-11(3)12(4)9-14(15)13(5)16/h9-11,16H,4-8H2,1-3H3/b14-9+.
What are the key properties of (3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol?
(3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol has a molecular weight of 226.33 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol is sourced from PubChem (CID 145235005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).