(2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane

C10H18O3 — CID 134860824

IUPAC(2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane
SMILESCC1CCOC2(C1)O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C10H18O3/c1-7-4-5-11-10(6-7)12-8(2)9(3)13-10/h7-9H,4-6H2,1-3H3/t7?,8-,9-/m1/s1
InChIKeySOJRADOGCVLGQM-CFCGPWAMSA-N
MW186.25 g/mol
LogP1.91
Rot. Bonds

About (2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane

(2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane (PubChem CID 134860824) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name(2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane
PubChem CID134860824
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane
SMILESCC1CCOC2(C1)O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C10H18O3/c1-7-4-5-11-10(6-7)12-8(2)9(3)13-10/h7-9H,4-6H2,1-3H3/t7?,8-,9-/m1/s1
InChIKeySOJRADOGCVLGQM-CFCGPWAMSA-N
XLogP1.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane?
The IUPAC name of (2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane (CID 134860824) is (2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane.
What is the SMILES notation for (2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane?
The canonical SMILES for (2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane is CC1CCOC2(C1)O[C@H](C)[C@@H](C)O2.
What is the InChIKey of (2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane?
The InChIKey is SOJRADOGCVLGQM-CFCGPWAMSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-4-5-11-10(6-7)12-8(2)9(3)13-10/h7-9H,4-6H2,1-3H3/t7?,8-,9-/m1/s1.
What are the key properties of (2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane?
(2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane has a molecular weight of 186.25 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 134860824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).