(5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene

C11H18O — CID 135022914

IUPAC(5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene
SMILESC[C@@H]1CC=C[C@]2(CCCO2)[C@@H]1C
InChIInChI=1S/C11H18O/c1-9-5-3-6-11(10(9)2)7-4-8-12-11/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10-,11+/m1/s1
InChIKeyPLKBDJDOCMLNIC-MXWKQRLJSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds

About (5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene

(5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene (PubChem CID 135022914) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene.

Molecular Properties

Compound Name(5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene
PubChem CID135022914
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene
SMILESC[C@@H]1CC=C[C@]2(CCCO2)[C@@H]1C
InChIInChI=1S/C11H18O/c1-9-5-3-6-11(10(9)2)7-4-8-12-11/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10-,11+/m1/s1
InChIKeyPLKBDJDOCMLNIC-MXWKQRLJSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene?
The IUPAC name of (5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene (CID 135022914) is (5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene.
What is the SMILES notation for (5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene?
The canonical SMILES for (5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene is C[C@@H]1CC=C[C@]2(CCCO2)[C@@H]1C.
What is the InChIKey of (5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene?
The InChIKey is PLKBDJDOCMLNIC-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H18O/c1-9-5-3-6-11(10(9)2)7-4-8-12-11/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10-,11+/m1/s1.
What are the key properties of (5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene?
(5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene has a molecular weight of 166.26 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene is sourced from PubChem (CID 135022914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).