3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane

C17H33FO — CID 162730770

IUPAC3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane
SMILESC=C(CC)CC(COC(C)C)(CC(F)CC)C(C)C
InChIInChI=1S/C17H33FO/c1-8-15(7)10-17(13(3)4,11-16(18)9-2)12-19-14(5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyJDBVGQIVABDYEL-UHFFFAOYSA-N
MW272.45 g/mol
LogP5.55
Rot. Bonds10

About 3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane

3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane (PubChem CID 162730770) has the molecular formula C17H33FO and a molecular weight of 272.45 g/mol. Its IUPAC name is 3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane.

Molecular Properties

Compound Name3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane
PubChem CID162730770
Molecular FormulaC17H33FO
Molecular Weight272.45 g/mol
Exact Mass272.25
IUPAC Name3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane
SMILESC=C(CC)CC(COC(C)C)(CC(F)CC)C(C)C
InChIInChI=1S/C17H33FO/c1-8-15(7)10-17(13(3)4,11-16(18)9-2)12-19-14(5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyJDBVGQIVABDYEL-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.45
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane?
The IUPAC name of 3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane (CID 162730770) is 3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane.
What is the SMILES notation for 3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane?
The canonical SMILES for 3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane is C=C(CC)CC(COC(C)C)(CC(F)CC)C(C)C.
What is the InChIKey of 3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane?
The InChIKey is JDBVGQIVABDYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FO/c1-8-15(7)10-17(13(3)4,11-16(18)9-2)12-19-14(5)6/h13-14,16H,7-12H2,1-6H3.
What are the key properties of 3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane?
3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane has a molecular weight of 272.45 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methylidene-5-propan-2-yl-5-(propan-2-yloxymethyl)nonane is sourced from PubChem (CID 162730770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).