(2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol

C11H20O3 — CID 13237164

IUPAC(2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol
SMILESCCC1(CO)CCC2(CCOCC2)O1
InChIInChI=1S/C11H20O3/c1-2-10(9-12)3-4-11(14-10)5-7-13-8-6-11/h12H,2-9H2,1H3
InChIKeyRMWKBSFMVYQXOE-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.49
Rot. Bonds2

About (2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol

(2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol (PubChem CID 13237164) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol
PubChem CID13237164
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol
SMILESCCC1(CO)CCC2(CCOCC2)O1
InChIInChI=1S/C11H20O3/c1-2-10(9-12)3-4-11(14-10)5-7-13-8-6-11/h12H,2-9H2,1H3
InChIKeyRMWKBSFMVYQXOE-UHFFFAOYSA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol?
The IUPAC name of (2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol (CID 13237164) is (2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol.
What is the SMILES notation for (2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol?
The canonical SMILES for (2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol is CCC1(CO)CCC2(CCOCC2)O1.
What is the InChIKey of (2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol?
The InChIKey is RMWKBSFMVYQXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-10(9-12)3-4-11(14-10)5-7-13-8-6-11/h12H,2-9H2,1H3.
What are the key properties of (2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol?
(2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol has a molecular weight of 200.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,8-dioxaspiro[4.5]decan-2-yl)methanol is sourced from PubChem (CID 13237164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).