(Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one

C20H35FO2 — CID 166880478

IUPAC(Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one
SMILESCCC(CC/C(=C/C(=O)CCC1CCCC1)/OC)CC(C)(C)F
InChIInChI=1S/C20H35FO2/c1-5-16(15-20(2,3)21)11-13-19(23-4)14-18(22)12-10-17-8-6-7-9-17/h14,16-17H,5-13,15H2,1-4H3/b19-14-
InChIKeyWHUSYRCIRBDTIC-RGEXLXHISA-N
MW326.50 g/mol
LogP5.90
Rot. Bonds11

About (Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one

(Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one (PubChem CID 166880478) has the molecular formula C20H35FO2 and a molecular weight of 326.50 g/mol. Its IUPAC name is (Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one.

Molecular Properties

Compound Name(Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one
PubChem CID166880478
Molecular FormulaC20H35FO2
Molecular Weight326.50 g/mol
Exact Mass326.26
IUPAC Name(Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one
SMILESCCC(CC/C(=C/C(=O)CCC1CCCC1)/OC)CC(C)(C)F
InChIInChI=1S/C20H35FO2/c1-5-16(15-20(2,3)21)11-13-19(23-4)14-18(22)12-10-17-8-6-7-9-17/h14,16-17H,5-13,15H2,1-4H3/b19-14-
InChIKeyWHUSYRCIRBDTIC-RGEXLXHISA-N
XLogP5.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity381

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.50
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one?
The IUPAC name of (Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one (CID 166880478) is (Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one.
What is the SMILES notation for (Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one?
The canonical SMILES for (Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one is CCC(CC/C(=C/C(=O)CCC1CCCC1)/OC)CC(C)(C)F.
What is the InChIKey of (Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one?
The InChIKey is WHUSYRCIRBDTIC-RGEXLXHISA-N. The full InChI is InChI=1S/C20H35FO2/c1-5-16(15-20(2,3)21)11-13-19(23-4)14-18(22)12-10-17-8-6-7-9-17/h14,16-17H,5-13,15H2,1-4H3/b19-14-.
What are the key properties of (Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one?
(Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one has a molecular weight of 326.50 g/mol, XLogP of 5.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopentyl-8-ethyl-10-fluoro-5-methoxy-10-methylundec-4-en-3-one is sourced from PubChem (CID 166880478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).