2-(2-methylnonan-4-yloxy)ethanol

C12H26O2 — CID 142712556

IUPAC2-(2-methylnonan-4-yloxy)ethanol
SMILESCCCCCC(CC(C)C)OCCO
InChIInChI=1S/C12H26O2/c1-4-5-6-7-12(10-11(2)3)14-9-8-13/h11-13H,4-10H2,1-3H3
InChIKeyYYRAWSUYIKRXPJ-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.99
Rot. Bonds9

About 2-(2-methylnonan-4-yloxy)ethanol

2-(2-methylnonan-4-yloxy)ethanol (PubChem CID 142712556) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-(2-methylnonan-4-yloxy)ethanol.

Molecular Properties

Compound Name2-(2-methylnonan-4-yloxy)ethanol
PubChem CID142712556
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-(2-methylnonan-4-yloxy)ethanol
SMILESCCCCCC(CC(C)C)OCCO
InChIInChI=1S/C12H26O2/c1-4-5-6-7-12(10-11(2)3)14-9-8-13/h11-13H,4-10H2,1-3H3
InChIKeyYYRAWSUYIKRXPJ-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-docosan-10-yloxyethanol
CID 173141834
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
2-(1-aminohexan-2-yloxy)ethanol
CID 103376898
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
12-butoxyoctadecan-1-ol
CID 139752074
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172771806
2-[2-(1-hydroxydecan-2-yloxy)ethoxy]decan-1-ol
CID 10022312
4-methoxy-2-methyltridecane
CID 150137637
5-docosan-5-yloxypentan-1-ol
CID 139884775
2-methyltridecan-4-yl dihydrogen phosphite
CID 154375180
2-(1-aminohexoxy)ethanol
CID 87099968

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylnonan-4-yloxy)ethanol?
The IUPAC name of 2-(2-methylnonan-4-yloxy)ethanol (CID 142712556) is 2-(2-methylnonan-4-yloxy)ethanol.
What is the SMILES notation for 2-(2-methylnonan-4-yloxy)ethanol?
The canonical SMILES for 2-(2-methylnonan-4-yloxy)ethanol is CCCCCC(CC(C)C)OCCO.
What is the InChIKey of 2-(2-methylnonan-4-yloxy)ethanol?
The InChIKey is YYRAWSUYIKRXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-5-6-7-12(10-11(2)3)14-9-8-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-(2-methylnonan-4-yloxy)ethanol?
2-(2-methylnonan-4-yloxy)ethanol has a molecular weight of 202.34 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylnonan-4-yloxy)ethanol is sourced from PubChem (CID 142712556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).