2,2-diethoxyhexane

C10H22O2 — CID 15413149

IUPAC2,2-diethoxyhexane
SMILESCCCCC(C)(OCC)OCC
InChIInChI=1S/C10H22O2/c1-5-8-9-10(4,11-6-2)12-7-3/h5-9H2,1-4H3
InChIKeyCMPMBARJYPVFDE-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.97
Rot. Bonds7

About 2,2-diethoxyhexane

2,2-diethoxyhexane (PubChem CID 15413149) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,2-diethoxyhexane.

Molecular Properties

Compound Name2,2-diethoxyhexane
PubChem CID15413149
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,2-diethoxyhexane
SMILESCCCCC(C)(OCC)OCC
InChIInChI=1S/C10H22O2/c1-5-8-9-10(4,11-6-2)12-7-3/h5-9H2,1-4H3
InChIKeyCMPMBARJYPVFDE-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-Bis(hexyloxy)ethane
CID 21503
Pentane, 1-(1-ethoxyethoxy)-
CID 114523
1,1-Diethoxypentane
CID 77223
Hexane, 1-(1-ethoxyethoxy)-
CID 108244
1,1-Diethoxycyclohexane
CID 74279
Hexane, 1,1-diethoxy-
CID 77224
Valeraldehyde dibutyl acetal
CID 22011445
1-(1-Ethoxybutoxy)pentane
CID 53422437
1,1-Diisopropoxycyclohexane
CID 11745673
2,2-Dibutoxypropane
CID 67335
1,1'-(Ethylidenebis(oxy))bispentane
CID 83035
1,1,1-Triethoxybutane
CID 371779

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyhexane?
The IUPAC name of 2,2-diethoxyhexane (CID 15413149) is 2,2-diethoxyhexane.
What is the SMILES notation for 2,2-diethoxyhexane?
The canonical SMILES for 2,2-diethoxyhexane is CCCCC(C)(OCC)OCC.
What is the InChIKey of 2,2-diethoxyhexane?
The InChIKey is CMPMBARJYPVFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-8-9-10(4,11-6-2)12-7-3/h5-9H2,1-4H3.
What are the key properties of 2,2-diethoxyhexane?
2,2-diethoxyhexane has a molecular weight of 174.28 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyhexane is sourced from PubChem (CID 15413149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).