5-(1,1-dimethoxyethyl)nonane

C13H28O2 — CID 139962185

IUPAC5-(1,1-dimethoxyethyl)nonane
SMILESCCCCC(CCCC)C(C)(OC)OC
InChIInChI=1S/C13H28O2/c1-6-8-10-12(11-9-7-2)13(3,14-4)15-5/h12H,6-11H2,1-5H3
InChIKeyIWWIDJSWDZJQSK-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.99
Rot. Bonds9

About 5-(1,1-dimethoxyethyl)nonane

5-(1,1-dimethoxyethyl)nonane (PubChem CID 139962185) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 5-(1,1-dimethoxyethyl)nonane.

Molecular Properties

Compound Name5-(1,1-dimethoxyethyl)nonane
PubChem CID139962185
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name5-(1,1-dimethoxyethyl)nonane
SMILESCCCCC(CCCC)C(C)(OC)OC
InChIInChI=1S/C13H28O2/c1-6-8-10-12(11-9-7-2)13(3,14-4)15-5/h12H,6-11H2,1-5H3
InChIKeyIWWIDJSWDZJQSK-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane
CID 151238395
N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
CID 150867086
2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol
CID 151926052
4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane
CID 159305061
2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
CID 150210042
1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene
CID 150917008
3-[4-(1,1-dimethoxyethyl)dodecyl]-3-methyloxetane
CID 151843357
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline
CID 151722105
3-ethyl-2,2-dimethylheptane
CID 20686447
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
3-[2-(1,1-dimethoxyethyl)decyl]oxetane
CID 152701590

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dimethoxyethyl)nonane?
The IUPAC name of 5-(1,1-dimethoxyethyl)nonane (CID 139962185) is 5-(1,1-dimethoxyethyl)nonane.
What is the SMILES notation for 5-(1,1-dimethoxyethyl)nonane?
The canonical SMILES for 5-(1,1-dimethoxyethyl)nonane is CCCCC(CCCC)C(C)(OC)OC.
What is the InChIKey of 5-(1,1-dimethoxyethyl)nonane?
The InChIKey is IWWIDJSWDZJQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-6-8-10-12(11-9-7-2)13(3,14-4)15-5/h12H,6-11H2,1-5H3.
What are the key properties of 5-(1,1-dimethoxyethyl)nonane?
5-(1,1-dimethoxyethyl)nonane has a molecular weight of 216.36 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dimethoxyethyl)nonane is sourced from PubChem (CID 139962185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).