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

C9H16O2 — CID 11116301

IUPAC(5R,7R)-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-/m1/s1
InChIKeyXNNASGSBOJGKAZ-RKDXNWHRSA-N
MW156.22 g/mol
LogP2.08
Rot. Bonds

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

(5R,7R)-7-methyl-1,6-dioxaspiro[4.5]decane (PubChem CID 11116301) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (5R,7R)-7-methyl-1,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(5R,7R)-7-methyl-1,6-dioxaspiro[4.5]decane
PubChem CID11116301
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(5R,7R)-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-/m1/s1
InChIKeyXNNASGSBOJGKAZ-RKDXNWHRSA-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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Related Compounds

7-Methyl-1,6-dioxaspiro(4.5)decane
CID 11116296
6,8-Dioxabicyclo[3.2.1]octane, 7-ethyl-5-methyl-, (1R-exo)-
CID 98954
2-Methyl-1,6-dioxaspiro(4.5)decane
CID 568216
1,6-Dioxaspiro(4.5)decane
CID 10888019
2-Methyl-1,7-dioxaspiro[5.5]undecane
CID 12705588
2-Ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 14271012
8-Methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
CID 14271034
2-Ethyl-7-methyl-1,6-dioxaspiro[4.5]decane
CID 15613616
(5S,7S)-7-Methyl-1,6-dioxaspiro[4.5]decane
CID 155085
7-Butyl-2-methyl-1,6-dioxaspiro[4.5]decane
CID 14271033
2,7-Diethyl-1,6-dioxaspiro[4.5]decane
CID 56940672
Brevicomin
CID 181255

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-methyl-1,6-dioxaspiro[4.5]decane?
The IUPAC name of (5R,7R)-7-methyl-1,6-dioxaspiro[4.5]decane (CID 11116301) is (5R,7R)-7-methyl-1,6-dioxaspiro[4.5]decane.
What is the SMILES notation for (5R,7R)-7-methyl-1,6-dioxaspiro[4.5]decane?
The canonical SMILES for (5R,7R)-7-methyl-1,6-dioxaspiro[4.5]decane is C[C@@H]1CCC[C@]2(CCCO2)O1.
What is the InChIKey of (5R,7R)-7-methyl-1,6-dioxaspiro[4.5]decane?
The InChIKey is XNNASGSBOJGKAZ-RKDXNWHRSA-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-/m1/s1.
What are the key properties of (5R,7R)-7-methyl-1,6-dioxaspiro[4.5]decane?
(5R,7R)-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,7R)-7-methyl-1,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 11116301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).