(E)-3-fluoro-6-methyl-7-propoxyhept-3-ene

C11H21FO — CID 89420015

IUPAC(E)-3-fluoro-6-methyl-7-propoxyhept-3-ene
SMILESCCCOCC(C)C/C=C(/F)CC
InChIInChI=1S/C11H21FO/c1-4-8-13-9-10(3)6-7-11(12)5-2/h7,10H,4-6,8-9H2,1-3H3/b11-7+
InChIKeyLNZUULYEVSDZKE-YRNVUSSQSA-N
MW188.29 g/mol
LogP3.70
Rot. Bonds7

About (E)-3-fluoro-6-methyl-7-propoxyhept-3-ene

(E)-3-fluoro-6-methyl-7-propoxyhept-3-ene (PubChem CID 89420015) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is (E)-3-fluoro-6-methyl-7-propoxyhept-3-ene.

Molecular Properties

Compound Name(E)-3-fluoro-6-methyl-7-propoxyhept-3-ene
PubChem CID89420015
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name(E)-3-fluoro-6-methyl-7-propoxyhept-3-ene
SMILESCCCOCC(C)C/C=C(/F)CC
InChIInChI=1S/C11H21FO/c1-4-8-13-9-10(3)6-7-11(12)5-2/h7,10H,4-6,8-9H2,1-3H3/b11-7+
InChIKeyLNZUULYEVSDZKE-YRNVUSSQSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-6-methyl-7-propoxyhept-3-ene?
The IUPAC name of (E)-3-fluoro-6-methyl-7-propoxyhept-3-ene (CID 89420015) is (E)-3-fluoro-6-methyl-7-propoxyhept-3-ene.
What is the SMILES notation for (E)-3-fluoro-6-methyl-7-propoxyhept-3-ene?
The canonical SMILES for (E)-3-fluoro-6-methyl-7-propoxyhept-3-ene is CCCOCC(C)C/C=C(/F)CC.
What is the InChIKey of (E)-3-fluoro-6-methyl-7-propoxyhept-3-ene?
The InChIKey is LNZUULYEVSDZKE-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H21FO/c1-4-8-13-9-10(3)6-7-11(12)5-2/h7,10H,4-6,8-9H2,1-3H3/b11-7+.
What are the key properties of (E)-3-fluoro-6-methyl-7-propoxyhept-3-ene?
(E)-3-fluoro-6-methyl-7-propoxyhept-3-ene has a molecular weight of 188.29 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-6-methyl-7-propoxyhept-3-ene is sourced from PubChem (CID 89420015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).