(3R)-3-ethoxy-2-methylnonane

C12H26O — CID 3086091

IUPAC(3R)-3-ethoxy-2-methylnonane
SMILESCCCCCC[C@@H](OCC)C(C)C
InChIInChI=1S/C12H26O/c1-5-7-8-9-10-12(11(3)4)13-6-2/h11-12H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyCYEJIAUEAAVGGO-GFCCVEGCSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds8

About (3R)-3-ethoxy-2-methylnonane

(3R)-3-ethoxy-2-methylnonane (PubChem CID 3086091) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is (3R)-3-ethoxy-2-methylnonane.

Molecular Properties

Compound Name(3R)-3-ethoxy-2-methylnonane
PubChem CID3086091
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name(3R)-3-ethoxy-2-methylnonane
SMILESCCCCCC[C@@H](OCC)C(C)C
InChIInChI=1S/C12H26O/c1-5-7-8-9-10-12(11(3)4)13-6-2/h11-12H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyCYEJIAUEAAVGGO-GFCCVEGCSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Disparlure
CID 62850
2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
2H-Pyran, 3-heptyltetrahydro-
CID 68443944
Cetyl Dimethylbutyl Ether
CID 9883836
Diisononyl Ether
CID 13603457
Thromboxane
CID 114873
Cyclododecane, (2-methylpropoxy)-
CID 76333
Tetradecahydrocyclododeca[b]furan
CID 14687820
Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
CID 86129
(2S,3R)-2-Decyl-3-(5-methylhexyl)oxirane
CID 171384
2-Decyl-3-(5-methylhexyl)oxirane
CID 205983
Dihydrocitronellol ethyl ether, (+-)-
CID 90843

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethoxy-2-methylnonane?
The IUPAC name of (3R)-3-ethoxy-2-methylnonane (CID 3086091) is (3R)-3-ethoxy-2-methylnonane.
What is the SMILES notation for (3R)-3-ethoxy-2-methylnonane?
The canonical SMILES for (3R)-3-ethoxy-2-methylnonane is CCCCCC[C@@H](OCC)C(C)C.
What is the InChIKey of (3R)-3-ethoxy-2-methylnonane?
The InChIKey is CYEJIAUEAAVGGO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26O/c1-5-7-8-9-10-12(11(3)4)13-6-2/h11-12H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (3R)-3-ethoxy-2-methylnonane?
(3R)-3-ethoxy-2-methylnonane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethoxy-2-methylnonane is sourced from PubChem (CID 3086091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).