3-methoxy-3-methylnonan-4-ol

C11H24O2 — CID 116751924

IUPAC3-methoxy-3-methylnonan-4-ol
SMILESCCCCCC(O)C(C)(CC)OC
InChIInChI=1S/C11H24O2/c1-5-7-8-9-10(12)11(3,6-2)13-4/h10,12H,5-9H2,1-4H3
InChIKeyPWVSJZIBBMSZIJ-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.74
Rot. Bonds7

About 3-methoxy-3-methylnonan-4-ol

3-methoxy-3-methylnonan-4-ol (PubChem CID 116751924) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-methoxy-3-methylnonan-4-ol.

Molecular Properties

Compound Name3-methoxy-3-methylnonan-4-ol
PubChem CID116751924
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-methoxy-3-methylnonan-4-ol
SMILESCCCCCC(O)C(C)(CC)OC
InChIInChI=1S/C11H24O2/c1-5-7-8-9-10(12)11(3,6-2)13-4/h10,12H,5-9H2,1-4H3
InChIKeyPWVSJZIBBMSZIJ-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.74
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

1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol
CID 116752031
3-methoxy-3-methyltetradecan-4-amine
CID 116757437
3-methoxy-3-methyl-N-propyldecan-4-amine
CID 116758213
3-methoxy-3-methyl-N-propyldodecan-4-amine
CID 116758147
3-methoxy-N,3-dimethylundecan-4-amine
CID 116757603
3-methyldodecane-3,4-diol
CID 103448703
2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
3,3-diethyldecan-4-ol
CID 150278197
3-(aminomethyl)-3-methylnonan-4-ol
CID 79137941
6-ethyl-3-methoxy-3-methyloctan-4-ol
CID 116752010
methyl (3S)-3-hydroxy-2,2-dimethyloctanoate
CID 101168876

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylnonan-4-ol?
The IUPAC name of 3-methoxy-3-methylnonan-4-ol (CID 116751924) is 3-methoxy-3-methylnonan-4-ol.
What is the SMILES notation for 3-methoxy-3-methylnonan-4-ol?
The canonical SMILES for 3-methoxy-3-methylnonan-4-ol is CCCCCC(O)C(C)(CC)OC.
What is the InChIKey of 3-methoxy-3-methylnonan-4-ol?
The InChIKey is PWVSJZIBBMSZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-7-8-9-10(12)11(3,6-2)13-4/h10,12H,5-9H2,1-4H3.
What are the key properties of 3-methoxy-3-methylnonan-4-ol?
3-methoxy-3-methylnonan-4-ol has a molecular weight of 188.31 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylnonan-4-ol is sourced from PubChem (CID 116751924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).