[5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane

C24H47FO2 — CID 174162021

IUPAC[5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane
SMILESCOCC(CCC(F)(CCC(C)C)CCC(C)C)(COC)C1CCCCC1
InChIInChI=1S/C24H47FO2/c1-20(2)12-14-24(25,15-13-21(3)4)17-16-23(18-26-5,19-27-6)22-10-8-7-9-11-22/h20-22H,7-19H2,1-6H3
InChIKeyMPSIHXKIJPYSKA-UHFFFAOYSA-N
MW386.64 g/mol
LogP7.21
Rot. Bonds14

About [5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane

[5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane (PubChem CID 174162021) has the molecular formula C24H47FO2 and a molecular weight of 386.64 g/mol. Its IUPAC name is [5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane.

Molecular Properties

Compound Name[5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane
PubChem CID174162021
Molecular FormulaC24H47FO2
Molecular Weight386.64 g/mol
Exact Mass386.36
IUPAC Name[5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane
SMILESCOCC(CCC(F)(CCC(C)C)CCC(C)C)(COC)C1CCCCC1
InChIInChI=1S/C24H47FO2/c1-20(2)12-14-24(25,15-13-21(3)4)17-16-23(18-26-5,19-27-6)22-10-8-7-9-11-22/h20-22H,7-19H2,1-6H3
InChIKeyMPSIHXKIJPYSKA-UHFFFAOYSA-N
XLogP7.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.64
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane?
The IUPAC name of [5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane (CID 174162021) is [5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane.
What is the SMILES notation for [5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane?
The canonical SMILES for [5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane is COCC(CCC(F)(CCC(C)C)CCC(C)C)(COC)C1CCCCC1.
What is the InChIKey of [5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane?
The InChIKey is MPSIHXKIJPYSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47FO2/c1-20(2)12-14-24(25,15-13-21(3)4)17-16-23(18-26-5,19-27-6)22-10-8-7-9-11-22/h20-22H,7-19H2,1-6H3.
What are the key properties of [5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane?
[5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane has a molecular weight of 386.64 g/mol, XLogP of 7.21, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane is sourced from PubChem (CID 174162021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).