(2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol

C11H20O4 — CID 13237163

IUPAC(2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol
SMILESCCC1(CO)CCC2(COCCOC2)O1
InChIInChI=1S/C11H20O4/c1-2-10(7-12)3-4-11(15-10)8-13-5-6-14-9-11/h12H,2-9H2,1H3
InChIKeyHUDLEZSAAFCJPG-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.72
Rot. Bonds2

About (2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol

(2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol (PubChem CID 13237163) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol
PubChem CID13237163
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol
SMILESCCC1(CO)CCC2(COCCOC2)O1
InChIInChI=1S/C11H20O4/c1-2-10(7-12)3-4-11(15-10)8-13-5-6-14-9-11/h12H,2-9H2,1H3
InChIKeyHUDLEZSAAFCJPG-UHFFFAOYSA-N
XLogP0.72
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol?
The IUPAC name of (2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol (CID 13237163) is (2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol.
What is the SMILES notation for (2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol?
The canonical SMILES for (2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol is CCC1(CO)CCC2(COCCOC2)O1.
What is the InChIKey of (2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol?
The InChIKey is HUDLEZSAAFCJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-2-10(7-12)3-4-11(15-10)8-13-5-6-14-9-11/h12H,2-9H2,1H3.
What are the key properties of (2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol?
(2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol has a molecular weight of 216.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,7,10-trioxaspiro[4.6]undecan-2-yl)methanol is sourced from PubChem (CID 13237163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).