2-methoxynonane-1,1-diol

C10H22O3 — CID 175114695

IUPAC2-methoxynonane-1,1-diol
SMILESCCCCCCCC(OC)C(O)O
InChIInChI=1S/C10H22O3/c1-3-4-5-6-7-8-9(13-2)10(11)12/h9-12H,3-8H2,1-2H3
InChIKeyVJAUROTWBWSICR-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.67
Rot. Bonds8

About 2-methoxynonane-1,1-diol

2-methoxynonane-1,1-diol (PubChem CID 175114695) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 2-methoxynonane-1,1-diol.

Molecular Properties

Compound Name2-methoxynonane-1,1-diol
PubChem CID175114695
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name2-methoxynonane-1,1-diol
SMILESCCCCCCCC(OC)C(O)O
InChIInChI=1S/C10H22O3/c1-3-4-5-6-7-8-9(13-2)10(11)12/h9-12H,3-8H2,1-2H3
InChIKeyVJAUROTWBWSICR-UHFFFAOYSA-N
XLogP1.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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CID 116710713
1-fluoro-3,4-dimethoxypentadecane
CID 174316150
1-methoxyhenicosan-1-ol
CID 138403001
1-methoxydodecan-1-ol
CID 19981343
1-methoxytetradecan-1-ol
CID 19981330
2-ethoxy-3-methoxynonane
CID 175129428
methoxymethane;tridecane-1,1-diol
CID 18004105
3-(2-hydroxytetradecan-3-yloxy)tetradecan-2-ol
CID 141007473
(9R,10R)-10-ethenyl-9-methoxynonadecane
CID 102492829
1-phosphanylhexadecan-1-ol
CID 174908486
1,1-dimethoxytetradecane
CID 13265409
(5S)-5-methoxyundecane
CID 118889956

Frequently Asked Questions

What is the IUPAC name of 2-methoxynonane-1,1-diol?
The IUPAC name of 2-methoxynonane-1,1-diol (CID 175114695) is 2-methoxynonane-1,1-diol.
What is the SMILES notation for 2-methoxynonane-1,1-diol?
The canonical SMILES for 2-methoxynonane-1,1-diol is CCCCCCCC(OC)C(O)O.
What is the InChIKey of 2-methoxynonane-1,1-diol?
The InChIKey is VJAUROTWBWSICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-3-4-5-6-7-8-9(13-2)10(11)12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-methoxynonane-1,1-diol?
2-methoxynonane-1,1-diol has a molecular weight of 190.28 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxynonane-1,1-diol is sourced from PubChem (CID 175114695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).