methanediol;nonane

C10H24O2 — CID 159588378

IUPACmethanediol;nonane
SMILESCCCCCCCCC.OCO
InChIInChI=1S/C9H20.CH4O2/c1-3-5-7-9-8-6-4-2;2-1-3/h3-9H2,1-2H3;2-3H,1H2
InChIKeyMJXPZBSCGNEQMU-UHFFFAOYSA-N
MW176.30 g/mol
LogP2.69
Rot. Bonds6

About methanediol;nonane

methanediol;nonane (PubChem CID 159588378) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is methanediol;nonane.

Molecular Properties

Compound Namemethanediol;nonane
PubChem CID159588378
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Namemethanediol;nonane
SMILESCCCCCCCCC.OCO
InChIInChI=1S/C9H20.CH4O2/c1-3-5-7-9-8-6-4-2;2-1-3/h3-9H2,1-2H3;2-3H,1H2
InChIKeyMJXPZBSCGNEQMU-UHFFFAOYSA-N
XLogP2.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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ethanol;hexadecane
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CID 157421705
ethanol;heptane;methane
CID 160925089
heptadecane;hydrazine
CID 174880698
butane;pentakis(heptane);methane
CID 160660769
methanol;undecane
CID 161373911
butane;ethane;heptane
CID 143121250
hydrazine;pentadecane
CID 174880620
heptan-1-ol;hydrazine
CID 159330416
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of methanediol;nonane?
The IUPAC name of methanediol;nonane (CID 159588378) is methanediol;nonane.
What is the SMILES notation for methanediol;nonane?
The canonical SMILES for methanediol;nonane is CCCCCCCCC.OCO.
What is the InChIKey of methanediol;nonane?
The InChIKey is MJXPZBSCGNEQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.CH4O2/c1-3-5-7-9-8-6-4-2;2-1-3/h3-9H2,1-2H3;2-3H,1H2.
What are the key properties of methanediol;nonane?
methanediol;nonane has a molecular weight of 176.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanediol;nonane is sourced from PubChem (CID 159588378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).