2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane

C16H32O3 — CID 22020704

IUPAC2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane
SMILESCCOCC1(C(C)C)C(OCC)CCCC1OCC
InChIInChI=1S/C16H32O3/c1-6-17-12-16(13(4)5)14(18-7-2)10-9-11-15(16)19-8-3/h13-15H,6-12H2,1-5H3
InChIKeyQFQMHCFLKIDABT-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.66
Rot. Bonds8

About 2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane

2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane (PubChem CID 22020704) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane
PubChem CID22020704
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane
SMILESCCOCC1(C(C)C)C(OCC)CCCC1OCC
InChIInChI=1S/C16H32O3/c1-6-17-12-16(13(4)5)14(18-7-2)10-9-11-15(16)19-8-3/h13-15H,6-12H2,1-5H3
InChIKeyQFQMHCFLKIDABT-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane?
The IUPAC name of 2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane (CID 22020704) is 2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane?
The canonical SMILES for 2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane is CCOCC1(C(C)C)C(OCC)CCCC1OCC.
What is the InChIKey of 2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane?
The InChIKey is QFQMHCFLKIDABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-6-17-12-16(13(4)5)14(18-7-2)10-9-11-15(16)19-8-3/h13-15H,6-12H2,1-5H3.
What are the key properties of 2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane?
2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane has a molecular weight of 272.43 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclohexane is sourced from PubChem (CID 22020704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).