1-(4-methyl-1-nonoxypentoxy)nonane

C24H50O2 — CID 168756191

IUPAC1-(4-methyl-1-nonoxypentoxy)nonane
SMILESCCCCCCCCCOC(CCC(C)C)OCCCCCCCCC
InChIInChI=1S/C24H50O2/c1-5-7-9-11-13-15-17-21-25-24(20-19-23(3)4)26-22-18-16-14-12-10-8-6-2/h23-24H,5-22H2,1-4H3
InChIKeyKZUWFVATSQTHGJ-UHFFFAOYSA-N
MW370.66 g/mol
LogP8.28
Rot. Bonds21

About 1-(4-methyl-1-nonoxypentoxy)nonane

1-(4-methyl-1-nonoxypentoxy)nonane (PubChem CID 168756191) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 1-(4-methyl-1-nonoxypentoxy)nonane.

Molecular Properties

Compound Name1-(4-methyl-1-nonoxypentoxy)nonane
PubChem CID168756191
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name1-(4-methyl-1-nonoxypentoxy)nonane
SMILESCCCCCCCCCOC(CCC(C)C)OCCCCCCCCC
InChIInChI=1S/C24H50O2/c1-5-7-9-11-13-15-17-21-25-24(20-19-23(3)4)26-22-18-16-14-12-10-8-6-2/h23-24H,5-22H2,1-4H3
InChIKeyKZUWFVATSQTHGJ-UHFFFAOYSA-N
XLogP8.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-methyl-1,1-dioctoxyheptane
CID 171428766
1,1,4,4-tetrabutoxybutane
CID 139887225
1,1-dibutoxyoctane
CID 54557001
1-hexan-2-yloxydecane
CID 57029724
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
4,4-dioctadecoxybutan-1-amine
CID 87498240
4,4-di(tetradecoxy)butan-1-amine
CID 87630255
3-methylbutyl 4,4-di(nonoxy)butanoate
CID 170937742
1-(7-bromo-1-octoxyheptoxy)octane
CID 146464261

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-nonoxypentoxy)nonane?
The IUPAC name of 1-(4-methyl-1-nonoxypentoxy)nonane (CID 168756191) is 1-(4-methyl-1-nonoxypentoxy)nonane.
What is the SMILES notation for 1-(4-methyl-1-nonoxypentoxy)nonane?
The canonical SMILES for 1-(4-methyl-1-nonoxypentoxy)nonane is CCCCCCCCCOC(CCC(C)C)OCCCCCCCCC.
What is the InChIKey of 1-(4-methyl-1-nonoxypentoxy)nonane?
The InChIKey is KZUWFVATSQTHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-5-7-9-11-13-15-17-21-25-24(20-19-23(3)4)26-22-18-16-14-12-10-8-6-2/h23-24H,5-22H2,1-4H3.
What are the key properties of 1-(4-methyl-1-nonoxypentoxy)nonane?
1-(4-methyl-1-nonoxypentoxy)nonane has a molecular weight of 370.66 g/mol, XLogP of 8.28, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-nonoxypentoxy)nonane is sourced from PubChem (CID 168756191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).