(5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane

C9H16O2 — CID 12571167

IUPAC(5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane
SMILESC[C@H]1CCC[C@]2(CCCO2)O1
InChIInChI=1S/C9H16O2/c1-8-4-2-5-9(11-8)6-3-7-10-9/h8H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyXNNASGSBOJGKAZ-DTWKUNHWSA-N
MW156.22 g/mol
LogP2.08
Rot. Bonds

About (5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane

(5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane (PubChem CID 12571167) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane
PubChem CID12571167
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane
SMILESC[C@H]1CCC[C@]2(CCCO2)O1
InChIInChI=1S/C9H16O2/c1-8-4-2-5-9(11-8)6-3-7-10-9/h8H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyXNNASGSBOJGKAZ-DTWKUNHWSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane?
The IUPAC name of (5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane (CID 12571167) is (5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane.
What is the SMILES notation for (5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane?
The canonical SMILES for (5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane is C[C@H]1CCC[C@]2(CCCO2)O1.
What is the InChIKey of (5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane?
The InChIKey is XNNASGSBOJGKAZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16O2/c1-8-4-2-5-9(11-8)6-3-7-10-9/h8H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane?
(5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane has a molecular weight of 156.22 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-methyl-1,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 12571167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).