2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane

C10H18O2 — CID 20769609

IUPAC2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
SMILESCC1CCC2(C1)OC(C)C(C)O2
InChIInChI=1S/C10H18O2/c1-7-4-5-10(6-7)11-8(2)9(3)12-10/h7-9H,4-6H2,1-3H3
InChIKeyAMXAFJMINFJAQS-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.33
Rot. Bonds

About 2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane

2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 20769609) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID20769609
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
SMILESCC1CCC2(C1)OC(C)C(C)O2
InChIInChI=1S/C10H18O2/c1-7-4-5-10(6-7)11-8(2)9(3)12-10/h7-9H,4-6H2,1-3H3
InChIKeyAMXAFJMINFJAQS-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane (CID 20769609) is 2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane is CC1CCC2(C1)OC(C)C(C)O2.
What is the InChIKey of 2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is AMXAFJMINFJAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-4-5-10(6-7)11-8(2)9(3)12-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 170.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 20769609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).