1-(hexoxymethoxy)-6,6-dimethylheptane

C16H34O2 — CID 171457767

IUPAC1-(hexoxymethoxy)-6,6-dimethylheptane
SMILESCCCCCCOCOCCCCCC(C)(C)C
InChIInChI=1S/C16H34O2/c1-5-6-7-10-13-17-15-18-14-11-8-9-12-16(2,3)4/h5-15H2,1-4H3
InChIKeyCZHSDXBWUKODPD-UHFFFAOYSA-N
MW258.45 g/mol
LogP5.16
Rot. Bonds12

About 1-(hexoxymethoxy)-6,6-dimethylheptane

1-(hexoxymethoxy)-6,6-dimethylheptane (PubChem CID 171457767) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-(hexoxymethoxy)-6,6-dimethylheptane.

Molecular Properties

Compound Name1-(hexoxymethoxy)-6,6-dimethylheptane
PubChem CID171457767
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name1-(hexoxymethoxy)-6,6-dimethylheptane
SMILESCCCCCCOCOCCCCCC(C)(C)C
InChIInChI=1S/C16H34O2/c1-5-6-7-10-13-17-15-18-14-11-8-9-12-16(2,3)4/h5-15H2,1-4H3
InChIKeyCZHSDXBWUKODPD-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5,5-dimethylhexoxy)octadecane
CID 172523117
1-butoxy-5,5-dimethylhexane
CID 134574772
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-ethoxy-10,10-dimethylundecane
CID 150524219
azane;2,2-dimethylundecane
CID 172735807
2,2-dimethylundecane;hydrobromide
CID 172814192
1-[6-(10,10-dimethylundecoxy)undecan-6-yloxy]-10,10-dimethylundecane
CID 150886508
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
2,2-dimethylnonane;fluoromethane
CID 158057771
2,2-dimethylnonadecane;oxosilane
CID 158610214
1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane
CID 175012315
1-[3-(2,2-dimethylpropoxy)propoxy]hexane
CID 166789205

Frequently Asked Questions

What is the IUPAC name of 1-(hexoxymethoxy)-6,6-dimethylheptane?
The IUPAC name of 1-(hexoxymethoxy)-6,6-dimethylheptane (CID 171457767) is 1-(hexoxymethoxy)-6,6-dimethylheptane.
What is the SMILES notation for 1-(hexoxymethoxy)-6,6-dimethylheptane?
The canonical SMILES for 1-(hexoxymethoxy)-6,6-dimethylheptane is CCCCCCOCOCCCCCC(C)(C)C.
What is the InChIKey of 1-(hexoxymethoxy)-6,6-dimethylheptane?
The InChIKey is CZHSDXBWUKODPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-5-6-7-10-13-17-15-18-14-11-8-9-12-16(2,3)4/h5-15H2,1-4H3.
What are the key properties of 1-(hexoxymethoxy)-6,6-dimethylheptane?
1-(hexoxymethoxy)-6,6-dimethylheptane has a molecular weight of 258.45 g/mol, XLogP of 5.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexoxymethoxy)-6,6-dimethylheptane is sourced from PubChem (CID 171457767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).