1-ethoxy-6,6-dimethylheptane

C11H24O — CID 58021102

IUPAC1-ethoxy-6,6-dimethylheptane
SMILESCCOCCCCCC(C)(C)C
InChIInChI=1S/C11H24O/c1-5-12-10-8-6-7-9-11(2,3)4/h5-10H2,1-4H3
InChIKeyVPUBEOUFRFCHJZ-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds6

About 1-ethoxy-6,6-dimethylheptane

1-ethoxy-6,6-dimethylheptane (PubChem CID 58021102) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 1-ethoxy-6,6-dimethylheptane.

Molecular Properties

Compound Name1-ethoxy-6,6-dimethylheptane
PubChem CID58021102
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name1-ethoxy-6,6-dimethylheptane
SMILESCCOCCCCCC(C)(C)C
InChIInChI=1S/C11H24O/c1-5-12-10-8-6-7-9-11(2,3)4/h5-10H2,1-4H3
InChIKeyVPUBEOUFRFCHJZ-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

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-10,10-dimethylundecane
CID 150524219
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-butoxy-5,5-dimethylhexane
CID 134574772
1-(hexoxymethoxy)-6,6-dimethylheptane
CID 171457767
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454
ethene;10-ethoxy-1,1,1-trimethoxydecane
CID 159955501
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
1-ethoxy-4,4-dimethylhexane
CID 89037329

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6,6-dimethylheptane?
The IUPAC name of 1-ethoxy-6,6-dimethylheptane (CID 58021102) is 1-ethoxy-6,6-dimethylheptane.
What is the SMILES notation for 1-ethoxy-6,6-dimethylheptane?
The canonical SMILES for 1-ethoxy-6,6-dimethylheptane is CCOCCCCCC(C)(C)C.
What is the InChIKey of 1-ethoxy-6,6-dimethylheptane?
The InChIKey is VPUBEOUFRFCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-12-10-8-6-7-9-11(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-ethoxy-6,6-dimethylheptane?
1-ethoxy-6,6-dimethylheptane 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 1-ethoxy-6,6-dimethylheptane is sourced from PubChem (CID 58021102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).