(4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane

C10H18O2 — CID 134965360

IUPAC(4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane
SMILESC[C@@H]1CCO[C@@]2(CCCCO2)C1
InChIInChI=1S/C10H18O2/c1-9-4-7-12-10(8-9)5-2-3-6-11-10/h9H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyREVRDZPTKWWDIC-ZJUUUORDSA-N
MW170.25 g/mol
LogP2.33
Rot. Bonds

About (4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane

(4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 134965360) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane
PubChem CID134965360
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane
SMILESC[C@@H]1CCO[C@@]2(CCCCO2)C1
InChIInChI=1S/C10H18O2/c1-9-4-7-12-10(8-9)5-2-3-6-11-10/h9H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyREVRDZPTKWWDIC-ZJUUUORDSA-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 (4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane (CID 134965360) is (4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane is C[C@@H]1CCO[C@@]2(CCCCO2)C1.
What is the InChIKey of (4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is REVRDZPTKWWDIC-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18O2/c1-9-4-7-12-10(8-9)5-2-3-6-11-10/h9H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane?
(4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane 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 (4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 134965360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).