(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane

C11H20O — CID 102399716

IUPAC(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane
SMILESC[C@H]1CCC[C@@]2(CCC[C@@H]2C)O1
InChIInChI=1S/C11H20O/c1-9-5-3-7-11(9)8-4-6-10(2)12-11/h9-10H,3-8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKeyDLUPAXQFIRTLIG-GARJFASQSA-N
MW168.28 g/mol
LogP3.13
Rot. Bonds

About (4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane

(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane (PubChem CID 102399716) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane
PubChem CID102399716
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane
SMILESC[C@H]1CCC[C@@]2(CCC[C@@H]2C)O1
InChIInChI=1S/C11H20O/c1-9-5-3-7-11(9)8-4-6-10(2)12-11/h9-10H,3-8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKeyDLUPAXQFIRTLIG-GARJFASQSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane?
The IUPAC name of (4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane (CID 102399716) is (4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane.
What is the SMILES notation for (4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane?
The canonical SMILES for (4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane is C[C@H]1CCC[C@@]2(CCC[C@@H]2C)O1.
What is the InChIKey of (4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane?
The InChIKey is DLUPAXQFIRTLIG-GARJFASQSA-N. The full InChI is InChI=1S/C11H20O/c1-9-5-3-7-11(9)8-4-6-10(2)12-11/h9-10H,3-8H2,1-2H3/t9-,10-,11+/m0/s1.
What are the key properties of (4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane?
(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane has a molecular weight of 168.28 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane is sourced from PubChem (CID 102399716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).