(6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane

C12H22 — CID 163836831

IUPAC(6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane
SMILESCCC1[C@H](C)[C@H](C)CCC12CC2
InChIInChI=1S/C12H22/c1-4-11-10(3)9(2)5-6-12(11)7-8-12/h9-11H,4-8H2,1-3H3/t9-,10-,11?/m1/s1
InChIKeyOIMAKDMXVQGCMR-DIOIDXFWSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds1

About (6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane

(6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane (PubChem CID 163836831) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane.

Molecular Properties

Compound Name(6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane
PubChem CID163836831
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane
SMILESCCC1[C@H](C)[C@H](C)CCC12CC2
InChIInChI=1S/C12H22/c1-4-11-10(3)9(2)5-6-12(11)7-8-12/h9-11H,4-8H2,1-3H3/t9-,10-,11?/m1/s1
InChIKeyOIMAKDMXVQGCMR-DIOIDXFWSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane?
The IUPAC name of (6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane (CID 163836831) is (6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane.
What is the SMILES notation for (6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane?
The canonical SMILES for (6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane is CCC1[C@H](C)[C@H](C)CCC12CC2.
What is the InChIKey of (6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane?
The InChIKey is OIMAKDMXVQGCMR-DIOIDXFWSA-N. The full InChI is InChI=1S/C12H22/c1-4-11-10(3)9(2)5-6-12(11)7-8-12/h9-11H,4-8H2,1-3H3/t9-,10-,11?/m1/s1.
What are the key properties of (6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane?
(6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane is sourced from PubChem (CID 163836831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).