3-ethoxy-3-ethyl-4-methylhexane

C11H24O — CID 172859093

IUPAC3-ethoxy-3-ethyl-4-methylhexane
SMILESCCOC(CC)(CC)C(C)CC
InChIInChI=1S/C11H24O/c1-6-10(5)11(7-2,8-3)12-9-4/h10H,6-9H2,1-5H3
InChIKeyZCOYVAAHDBJKJY-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds6

About 3-ethoxy-3-ethyl-4-methylhexane

3-ethoxy-3-ethyl-4-methylhexane (PubChem CID 172859093) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-4-methylhexane.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-4-methylhexane
PubChem CID172859093
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-ethoxy-3-ethyl-4-methylhexane
SMILESCCOC(CC)(CC)C(C)CC
InChIInChI=1S/C11H24O/c1-6-10(5)11(7-2,8-3)12-9-4/h10H,6-9H2,1-5H3
InChIKeyZCOYVAAHDBJKJY-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-3-ethylpentan-2-amine
CID 116759599
CID 21072175
CID 21072175
2-ethoxy-2-(hydroxymethyl)-3-methylbutane-1,4-diol
CID 87478259
3-ethoxy-3,4-dimethylhex-1-yne
CID 550222
(2-ethoxy-2-ethyl-1-hydroxybutyl)-trimethylazanium
CID 18678106
3-ethoxy-3-ethyl-N,8-dimethylnonan-4-amine
CID 116760023
3,3-diethoxy-2,4-dimethylpentane
CID 11788732
3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine
CID 116759938
3-ethoxy-3-ethyl-6-methylnonan-4-ol
CID 116752611
ethyl 2-ethoxy-2,3-dimethylpentanoate
CID 140976070
3-ethoxy-3-ethyl-N-methylheptan-4-amine
CID 116759889
3-ethyl-3-iodo-4-methylhexane
CID 87966259

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-4-methylhexane?
The IUPAC name of 3-ethoxy-3-ethyl-4-methylhexane (CID 172859093) is 3-ethoxy-3-ethyl-4-methylhexane.
What is the SMILES notation for 3-ethoxy-3-ethyl-4-methylhexane?
The canonical SMILES for 3-ethoxy-3-ethyl-4-methylhexane is CCOC(CC)(CC)C(C)CC.
What is the InChIKey of 3-ethoxy-3-ethyl-4-methylhexane?
The InChIKey is ZCOYVAAHDBJKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-10(5)11(7-2,8-3)12-9-4/h10H,6-9H2,1-5H3.
What are the key properties of 3-ethoxy-3-ethyl-4-methylhexane?
3-ethoxy-3-ethyl-4-methylhexane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-4-methylhexane is sourced from PubChem (CID 172859093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).