3,3-dimethoxynonane

C11H24O2 — CID 14785776

IUPAC3,3-dimethoxynonane
SMILESCCCCCCC(CC)(OC)OC
InChIInChI=1S/C11H24O2/c1-5-7-8-9-10-11(6-2,12-3)13-4/h5-10H2,1-4H3
InChIKeyZCZQJWFFQYHXCV-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.36
Rot. Bonds8

About 3,3-dimethoxynonane

3,3-dimethoxynonane (PubChem CID 14785776) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3,3-dimethoxynonane.

Molecular Properties

Compound Name3,3-dimethoxynonane
PubChem CID14785776
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3,3-dimethoxynonane
SMILESCCCCCCC(CC)(OC)OC
InChIInChI=1S/C11H24O2/c1-5-7-8-9-10-11(6-2,12-3)13-4/h5-10H2,1-4H3
InChIKeyZCZQJWFFQYHXCV-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
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

1,2,2-trimethoxyundecane
CID 151416745
1,4,4-trimethoxytridecane
CID 150006661
5,5-dimethoxytetradecan-1-amine
CID 150037650
1,1,1-trimethoxytridecane
CID 102481821
5-methoxy-5-pentoxytetradecane
CID 161410500
3-ethyl-3-methoxydecane
CID 89190150
3,3-diethoxyoctane
CID 89440562
11-methoxy-11-nonyltetracosane
CID 159441841
3-methoxy-3-methyldodecane
CID 150409844
4-(dichloromethoxy)-4-methoxytridecane
CID 157145809
3-acetyloxyundecan-3-yl acetate
CID 138404207
1,1,2,2-tetramethoxyoctane
CID 15697911

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxynonane?
The IUPAC name of 3,3-dimethoxynonane (CID 14785776) is 3,3-dimethoxynonane.
What is the SMILES notation for 3,3-dimethoxynonane?
The canonical SMILES for 3,3-dimethoxynonane is CCCCCCC(CC)(OC)OC.
What is the InChIKey of 3,3-dimethoxynonane?
The InChIKey is ZCZQJWFFQYHXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-7-8-9-10-11(6-2,12-3)13-4/h5-10H2,1-4H3.
What are the key properties of 3,3-dimethoxynonane?
3,3-dimethoxynonane has a molecular weight of 188.31 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxynonane is sourced from PubChem (CID 14785776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).