3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen

C10H20O2 — CID 159533649

IUPAC3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen
SMILESCC1CCC2(CC1)OCC(C)O2.[H][H]
InChIInChI=1S/C10H18O2.H2/c1-8-3-5-10(6-4-8)11-7-9(2)12-10;/h8-9H,3-7H2,1-2H3;1H
InChIKeyMDHWDTRVUGDQAW-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds

About 3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen

3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen (PubChem CID 159533649) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen.

Molecular Properties

Compound Name3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen
PubChem CID159533649
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen
SMILESCC1CCC2(CC1)OCC(C)O2.[H][H]
InChIInChI=1S/C10H18O2.H2/c1-8-3-5-10(6-4-8)11-7-9(2)12-10;/h8-9H,3-7H2,1-2H3;1H
InChIKeyMDHWDTRVUGDQAW-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen?
The IUPAC name of 3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen (CID 159533649) is 3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen.
What is the SMILES notation for 3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen?
The canonical SMILES for 3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen is CC1CCC2(CC1)OCC(C)O2.[H][H].
What is the InChIKey of 3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen?
The InChIKey is MDHWDTRVUGDQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.H2/c1-8-3-5-10(6-4-8)11-7-9(2)12-10;/h8-9H,3-7H2,1-2H3;1H.
What are the key properties of 3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen?
3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen has a molecular weight of 172.27 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1,4-dioxaspiro[4.5]decane;molecular hydrogen is sourced from PubChem (CID 159533649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).