1-ethoxy-4,4-dimethylhexane

C10H22O — CID 89037329

IUPAC1-ethoxy-4,4-dimethylhexane
SMILESCCOCCCC(C)(C)CC
InChIInChI=1S/C10H22O/c1-5-10(3,4)8-7-9-11-6-2/h5-9H2,1-4H3
InChIKeyNMQFSBYBEMYVON-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds6

About 1-ethoxy-4,4-dimethylhexane

1-ethoxy-4,4-dimethylhexane (PubChem CID 89037329) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 1-ethoxy-4,4-dimethylhexane.

Molecular Properties

Compound Name1-ethoxy-4,4-dimethylhexane
PubChem CID89037329
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name1-ethoxy-4,4-dimethylhexane
SMILESCCOCCCC(C)(C)CC
InChIInChI=1S/C10H22O/c1-5-10(3,4)8-7-9-11-6-2/h5-9H2,1-4H3
InChIKeyNMQFSBYBEMYVON-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
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

6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
6-bromo-1-ethoxy-4,4-dimethylheptane
CID 65177799
7-ethoxy-4,4-dimethylheptan-2-amine
CID 65177905
5-ethoxy-2-ethyl-2-methylpentan-1-ol
CID 66059379
3,3,19,19-tetramethylhenicosane
CID 123780647
3,3,9,9-tetramethylundecane
CID 20661116
5-ethoxy-N,2-dimethylpentan-2-amine
CID 135220051
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-ethoxy-6,6-dimethylheptane
CID 58021102
4,4-dimethylhexyl acetate
CID 90020632
5-ethoxy-2-methyl-2-propylpentan-1-ol
CID 66026142
6-(5,5-dimethylheptoxy)-2-methylhexane-2-sulfonamide
CID 59296348

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4,4-dimethylhexane?
The IUPAC name of 1-ethoxy-4,4-dimethylhexane (CID 89037329) is 1-ethoxy-4,4-dimethylhexane.
What is the SMILES notation for 1-ethoxy-4,4-dimethylhexane?
The canonical SMILES for 1-ethoxy-4,4-dimethylhexane is CCOCCCC(C)(C)CC.
What is the InChIKey of 1-ethoxy-4,4-dimethylhexane?
The InChIKey is NMQFSBYBEMYVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-10(3,4)8-7-9-11-6-2/h5-9H2,1-4H3.
What are the key properties of 1-ethoxy-4,4-dimethylhexane?
1-ethoxy-4,4-dimethylhexane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4,4-dimethylhexane is sourced from PubChem (CID 89037329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).