7,9-dimethyl-1,4-dioxaspiro[4.5]decane

C10H18O2 — CID 23529851

IUPAC7,9-dimethyl-1,4-dioxaspiro[4.5]decane
SMILESCC1CC(C)CC2(C1)OCCO2
InChIInChI=1S/C10H18O2/c1-8-5-9(2)7-10(6-8)11-3-4-12-10/h8-9H,3-7H2,1-2H3
InChIKeyIQNCZSYCVQFYON-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds

About 7,9-dimethyl-1,4-dioxaspiro[4.5]decane

7,9-dimethyl-1,4-dioxaspiro[4.5]decane (PubChem CID 23529851) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 7,9-dimethyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7,9-dimethyl-1,4-dioxaspiro[4.5]decane
PubChem CID23529851
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name7,9-dimethyl-1,4-dioxaspiro[4.5]decane
SMILESCC1CC(C)CC2(C1)OCCO2
InChIInChI=1S/C10H18O2/c1-8-5-9(2)7-10(6-8)11-3-4-12-10/h8-9H,3-7H2,1-2H3
InChIKeyIQNCZSYCVQFYON-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(1,1-Dimethylethyl)-1,4-dioxaspiro(4.5)decane
CID 56841677
1,4-Dioxaspiro[4.5]decane, 8-(1,1-dimethylethyl)-
CID 75208
1,4-Dioxaspiro(4.5)decane-3-methanol, 7-methyl-
CID 45281
1,4-Dioxaspiro(4.5)decane-3-methanol, 8-methyl-
CID 45282
2,9-Dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decane
CID 118113
9-Methyl-6-(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 13113306
1,4-Dioxaspiro[4.5]decane, 7,7,9-trimethyl-
CID 102527
2,3,8-Trimethyl-1,4-dioxaspiro[4.5]decane
CID 221908
6-Methyl-1,4-dioxaspiro[4.5]decane
CID 291808
8-Methyl-1,4-dioxaspiro[4.5]decane
CID 10953772
6,10-Dimethyl-1,4-dioxaspiro[4,5]decane
CID 13778953
8-Ethyl-1,4-dioxaspiro[4.5]decane
CID 21016596

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7,9-dimethyl-1,4-dioxaspiro[4.5]decane (CID 23529851) is 7,9-dimethyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7,9-dimethyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7,9-dimethyl-1,4-dioxaspiro[4.5]decane is CC1CC(C)CC2(C1)OCCO2.
What is the InChIKey of 7,9-dimethyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is IQNCZSYCVQFYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-5-9(2)7-10(6-8)11-3-4-12-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 7,9-dimethyl-1,4-dioxaspiro[4.5]decane?
7,9-dimethyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 170.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 23529851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).