3-butoxy-3-ethyloctane

C14H30O — CID 156635634

IUPAC3-butoxy-3-ethyloctane
SMILESCCCCCC(CC)(CC)OCCCC
InChIInChI=1S/C14H30O/c1-5-9-11-12-14(7-3,8-4)15-13-10-6-2/h5-13H2,1-4H3
InChIKeyNBSJSSVVTYIUDV-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.94
Rot. Bonds10

About 3-butoxy-3-ethyloctane

3-butoxy-3-ethyloctane (PubChem CID 156635634) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3-butoxy-3-ethyloctane.

Molecular Properties

Compound Name3-butoxy-3-ethyloctane
PubChem CID156635634
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3-butoxy-3-ethyloctane
SMILESCCCCCC(CC)(CC)OCCCC
InChIInChI=1S/C14H30O/c1-5-9-11-12-14(7-3,8-4)15-13-10-6-2/h5-13H2,1-4H3
InChIKeyNBSJSSVVTYIUDV-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.94
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

10-decoxy-10-nonylnonadecane
CID 150430521
16-ethyl-16-(10-fluorodecoxy)hentriacontane
CID 139725302
3-ethyl-3-methoxydecane
CID 89190150
3-ethyl-3-hydroperoxytridecane
CID 140733477
1-[1-propoxy-3-(propoxymethyl)pentan-3-yl]oxyoctane
CID 90705435
3-butoxy-3-ethylpentanamide
CID 146302491
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
14-tridecyloctacosan-14-yloxysilane
CID 173060340
5,5-dibutoxynonane
CID 89440038
11-methoxy-11-nonyltetracosane
CID 159441841
9-heptoxy-9-methylhenicosane
CID 91127088
2-dodecoxy-2-methyltetradecane
CID 158074564

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-3-ethyloctane?
The IUPAC name of 3-butoxy-3-ethyloctane (CID 156635634) is 3-butoxy-3-ethyloctane.
What is the SMILES notation for 3-butoxy-3-ethyloctane?
The canonical SMILES for 3-butoxy-3-ethyloctane is CCCCCC(CC)(CC)OCCCC.
What is the InChIKey of 3-butoxy-3-ethyloctane?
The InChIKey is NBSJSSVVTYIUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-5-9-11-12-14(7-3,8-4)15-13-10-6-2/h5-13H2,1-4H3.
What are the key properties of 3-butoxy-3-ethyloctane?
3-butoxy-3-ethyloctane has a molecular weight of 214.39 g/mol, XLogP of 4.94, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-3-ethyloctane is sourced from PubChem (CID 156635634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).