6,9-dimethyl-2,7-dioxaspiro[4.5]decane

C10H18O2 — CID 156576391

IUPAC6,9-dimethyl-2,7-dioxaspiro[4.5]decane
SMILESCC1COC(C)C2(CCOC2)C1
InChIInChI=1S/C10H18O2/c1-8-5-10(3-4-11-7-10)9(2)12-6-8/h8-9H,3-7H2,1-2H3
InChIKeyKYVZPBXNXYBHKE-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.84
Rot. Bonds

About 6,9-dimethyl-2,7-dioxaspiro[4.5]decane

6,9-dimethyl-2,7-dioxaspiro[4.5]decane (PubChem CID 156576391) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6,9-dimethyl-2,7-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6,9-dimethyl-2,7-dioxaspiro[4.5]decane
PubChem CID156576391
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6,9-dimethyl-2,7-dioxaspiro[4.5]decane
SMILESCC1COC(C)C2(CCOC2)C1
InChIInChI=1S/C10H18O2/c1-8-5-10(3-4-11-7-10)9(2)12-6-8/h8-9H,3-7H2,1-2H3
InChIKeyKYVZPBXNXYBHKE-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,9-dimethyl-2,7-dioxaspiro[4.5]decane?
The IUPAC name of 6,9-dimethyl-2,7-dioxaspiro[4.5]decane (CID 156576391) is 6,9-dimethyl-2,7-dioxaspiro[4.5]decane.
What is the SMILES notation for 6,9-dimethyl-2,7-dioxaspiro[4.5]decane?
The canonical SMILES for 6,9-dimethyl-2,7-dioxaspiro[4.5]decane is CC1COC(C)C2(CCOC2)C1.
What is the InChIKey of 6,9-dimethyl-2,7-dioxaspiro[4.5]decane?
The InChIKey is KYVZPBXNXYBHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-5-10(3-4-11-7-10)9(2)12-6-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 6,9-dimethyl-2,7-dioxaspiro[4.5]decane?
6,9-dimethyl-2,7-dioxaspiro[4.5]decane has a molecular weight of 170.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-2,7-dioxaspiro[4.5]decane is sourced from PubChem (CID 156576391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).