(2R,4R)-1,4-dimethoxynonan-2-ol

C11H24O3 — CID 23238601

IUPAC(2R,4R)-1,4-dimethoxynonan-2-ol
SMILESCCCCC[C@H](C[C@@H](O)COC)OC
InChIInChI=1S/C11H24O3/c1-4-5-6-7-11(14-3)8-10(12)9-13-2/h10-12H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyWPWLUIJJQWYQAB-GHMZBOCLSA-N
MW204.31 g/mol
LogP1.98
Rot. Bonds9

About (2R,4R)-1,4-dimethoxynonan-2-ol

(2R,4R)-1,4-dimethoxynonan-2-ol (PubChem CID 23238601) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is (2R,4R)-1,4-dimethoxynonan-2-ol.

Molecular Properties

Compound Name(2R,4R)-1,4-dimethoxynonan-2-ol
PubChem CID23238601
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name(2R,4R)-1,4-dimethoxynonan-2-ol
SMILESCCCCC[C@H](C[C@@H](O)COC)OC
InChIInChI=1S/C11H24O3/c1-4-5-6-7-11(14-3)8-10(12)9-13-2/h10-12H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyWPWLUIJJQWYQAB-GHMZBOCLSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-methoxy-2-methylnonan-4-ol
CID 105086152
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CID 63930489
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(4S)-4-methoxyundecan-1-ol
CID 53329455
12-methoxyoctadecan-1-ol
CID 18347175
1,5-dimethoxypentane-2,4-diol
CID 88937884
4-(1,2-dihydroxyhenicosan-4-yloxy)henicosane-1,2-diol
CID 20975334
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CID 70192088
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CID 162066380

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1,4-dimethoxynonan-2-ol?
The IUPAC name of (2R,4R)-1,4-dimethoxynonan-2-ol (CID 23238601) is (2R,4R)-1,4-dimethoxynonan-2-ol.
What is the SMILES notation for (2R,4R)-1,4-dimethoxynonan-2-ol?
The canonical SMILES for (2R,4R)-1,4-dimethoxynonan-2-ol is CCCCC[C@H](C[C@@H](O)COC)OC.
What is the InChIKey of (2R,4R)-1,4-dimethoxynonan-2-ol?
The InChIKey is WPWLUIJJQWYQAB-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H24O3/c1-4-5-6-7-11(14-3)8-10(12)9-13-2/h10-12H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (2R,4R)-1,4-dimethoxynonan-2-ol?
(2R,4R)-1,4-dimethoxynonan-2-ol has a molecular weight of 204.31 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1,4-dimethoxynonan-2-ol is sourced from PubChem (CID 23238601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).