7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile

C13H21NO — CID 165459414

IUPAC7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile
SMILESCC1CC(C)(C)CC2(C1)OCCC2C#N
InChIInChI=1S/C13H21NO/c1-10-6-12(2,3)9-13(7-10)11(8-14)4-5-15-13/h10-11H,4-7,9H2,1-3H3
InChIKeyGAJNLUOTLOVUSC-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.13
Rot. Bonds

About 7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile

7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile (PubChem CID 165459414) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile.

Molecular Properties

Compound Name7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile
PubChem CID165459414
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile
SMILESCC1CC(C)(C)CC2(C1)OCCC2C#N
InChIInChI=1S/C13H21NO/c1-10-6-12(2,3)9-13(7-10)11(8-14)4-5-15-13/h10-11H,4-7,9H2,1-3H3
InChIKeyGAJNLUOTLOVUSC-UHFFFAOYSA-N
XLogP3.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile?
The IUPAC name of 7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile (CID 165459414) is 7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile.
What is the SMILES notation for 7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile?
The canonical SMILES for 7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile is CC1CC(C)(C)CC2(C1)OCCC2C#N.
What is the InChIKey of 7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile?
The InChIKey is GAJNLUOTLOVUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-6-12(2,3)9-13(7-10)11(8-14)4-5-15-13/h10-11H,4-7,9H2,1-3H3.
What are the key properties of 7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile?
7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9-trimethyl-1-oxaspiro[4.5]decane-4-carbonitrile is sourced from PubChem (CID 165459414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).