[1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane

C16H32O3 — CID 22020728

IUPAC[1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane
SMILESCCOCC(COCC)(COCC)C1CCCCC1
InChIInChI=1S/C16H32O3/c1-4-17-12-16(13-18-5-2,14-19-6-3)15-10-8-7-9-11-15/h15H,4-14H2,1-3H3
InChIKeyKSBUBVARDRIIBS-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.66
Rot. Bonds10

About [1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane

[1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane (PubChem CID 22020728) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is [1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name[1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane
PubChem CID22020728
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name[1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane
SMILESCCOCC(COCC)(COCC)C1CCCCC1
InChIInChI=1S/C16H32O3/c1-4-17-12-16(13-18-5-2,14-19-6-3)15-10-8-7-9-11-15/h15H,4-14H2,1-3H3
InChIKeyKSBUBVARDRIIBS-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
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 [1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane?
The IUPAC name of [1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane (CID 22020728) is [1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane.
What is the SMILES notation for [1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane?
The canonical SMILES for [1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane is CCOCC(COCC)(COCC)C1CCCCC1.
What is the InChIKey of [1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane?
The InChIKey is KSBUBVARDRIIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-4-17-12-16(13-18-5-2,14-19-6-3)15-10-8-7-9-11-15/h15H,4-14H2,1-3H3.
What are the key properties of [1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane?
[1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane has a molecular weight of 272.43 g/mol, XLogP of 3.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-diethoxy-2-(ethoxymethyl)propan-2-yl]cyclohexane is sourced from PubChem (CID 22020728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).