(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane

C10H18O2 — CID 129156956

IUPAC(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
SMILESCC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C10H18O2/c1-2-9-8-11-10(12-9)6-4-3-5-7-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyHIHAXTKRBWMBPJ-VIFPVBQESA-N
MW170.25 g/mol
LogP2.47
Rot. Bonds1

About (3S)-3-ethyl-1,4-dioxaspiro[4.5]decane

(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane (PubChem CID 129156956) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3S)-3-ethyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
PubChem CID129156956
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
SMILESCC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C10H18O2/c1-2-9-8-11-10(12-9)6-4-3-5-7-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyHIHAXTKRBWMBPJ-VIFPVBQESA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3S)-3-ethyl-1,4-dioxaspiro[4.5]decane (CID 129156956) is (3S)-3-ethyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-ethyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3S)-3-ethyl-1,4-dioxaspiro[4.5]decane is CC[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (3S)-3-ethyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is HIHAXTKRBWMBPJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18O2/c1-2-9-8-11-10(12-9)6-4-3-5-7-10/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-ethyl-1,4-dioxaspiro[4.5]decane?
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 170.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 129156956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).