1,3-dimethyl-2-oxaspiro[4.5]decane

C11H20O — CID 58143079

IUPAC1,3-dimethyl-2-oxaspiro[4.5]decane
SMILESCC1CC2(CCCCC2)C(C)O1
InChIInChI=1S/C11H20O/c1-9-8-11(10(2)12-9)6-4-3-5-7-11/h9-10H,3-8H2,1-2H3
InChIKeyPHCCHRCZUIFQFA-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.13
Rot. Bonds

About 1,3-dimethyl-2-oxaspiro[4.5]decane

1,3-dimethyl-2-oxaspiro[4.5]decane (PubChem CID 58143079) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxaspiro[4.5]decane.

Molecular Properties

Compound Name1,3-dimethyl-2-oxaspiro[4.5]decane
PubChem CID58143079
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1,3-dimethyl-2-oxaspiro[4.5]decane
SMILESCC1CC2(CCCCC2)C(C)O1
InChIInChI=1S/C11H20O/c1-9-8-11(10(2)12-9)6-4-3-5-7-11/h9-10H,3-8H2,1-2H3
InChIKeyPHCCHRCZUIFQFA-UHFFFAOYSA-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 1,3-dimethyl-2-oxaspiro[4.5]decane?
The IUPAC name of 1,3-dimethyl-2-oxaspiro[4.5]decane (CID 58143079) is 1,3-dimethyl-2-oxaspiro[4.5]decane.
What is the SMILES notation for 1,3-dimethyl-2-oxaspiro[4.5]decane?
The canonical SMILES for 1,3-dimethyl-2-oxaspiro[4.5]decane is CC1CC2(CCCCC2)C(C)O1.
What is the InChIKey of 1,3-dimethyl-2-oxaspiro[4.5]decane?
The InChIKey is PHCCHRCZUIFQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9-8-11(10(2)12-9)6-4-3-5-7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-oxaspiro[4.5]decane?
1,3-dimethyl-2-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 1,3-dimethyl-2-oxaspiro[4.5]decane is sourced from PubChem (CID 58143079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).