(2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane

C10H18O2 — CID 45098510

IUPAC(2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
SMILESC[C@H]1CCC2(C1)O[C@H](C)[C@@H](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/t7-,8+,9+/m0/s1
InChIKeyAMXAFJMINFJAQS-DJLDLDEBSA-N
MW170.25 g/mol
LogP2.33
Rot. Bonds

About (2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane

(2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 45098510) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID45098510
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
SMILESC[C@H]1CCC2(C1)O[C@H](C)[C@@H](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/t7-,8+,9+/m0/s1
InChIKeyAMXAFJMINFJAQS-DJLDLDEBSA-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 (2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of (2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane (CID 45098510) is (2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for (2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for (2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane is C[C@H]1CCC2(C1)O[C@H](C)[C@@H](C)O2.
What is the InChIKey of (2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is AMXAFJMINFJAQS-DJLDLDEBSA-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/t7-,8+,9+/m0/s1.
What are the key properties of (2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane?
(2R,3R,8S)-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 (2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 45098510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).