3-ethyl-3-methoxydecane

C13H28O — CID 89190150

IUPAC3-ethyl-3-methoxydecane
SMILESCCCCCCCC(CC)(CC)OC
InChIInChI=1S/C13H28O/c1-5-8-9-10-11-12-13(6-2,7-3)14-4/h5-12H2,1-4H3
InChIKeyITBVDYKBNILAIQ-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.55
Rot. Bonds9

About 3-ethyl-3-methoxydecane

3-ethyl-3-methoxydecane (PubChem CID 89190150) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-ethyl-3-methoxydecane.

Molecular Properties

Compound Name3-ethyl-3-methoxydecane
PubChem CID89190150
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name3-ethyl-3-methoxydecane
SMILESCCCCCCCC(CC)(CC)OC
InChIInChI=1S/C13H28O/c1-5-8-9-10-11-12-13(6-2,7-3)14-4/h5-12H2,1-4H3
InChIKeyITBVDYKBNILAIQ-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 158279749
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3-ethyl-3-hydroperoxytridecane
CID 140733477
3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane
CID 87295740
3-(8-fluorooctoxymethyl)-3-methoxyhexadecane
CID 139725365
3,3-dimethoxynonane
CID 14785776
1,1,1-trimethoxytridecane
CID 102481821
14-tridecyloctacosan-14-yloxysilane
CID 173060340
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
3-butoxy-3-ethyloctane
CID 156635634
3-methoxy-3-methyldodecane
CID 150409844

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxydecane?
The IUPAC name of 3-ethyl-3-methoxydecane (CID 89190150) is 3-ethyl-3-methoxydecane.
What is the SMILES notation for 3-ethyl-3-methoxydecane?
The canonical SMILES for 3-ethyl-3-methoxydecane is CCCCCCCC(CC)(CC)OC.
What is the InChIKey of 3-ethyl-3-methoxydecane?
The InChIKey is ITBVDYKBNILAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-5-8-9-10-11-12-13(6-2,7-3)14-4/h5-12H2,1-4H3.
What are the key properties of 3-ethyl-3-methoxydecane?
3-ethyl-3-methoxydecane has a molecular weight of 200.37 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxydecane is sourced from PubChem (CID 89190150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).