8-methyl-1,6-dioxaspiro[4.5]dec-7-ene

C9H14O2 — CID 13237180

IUPAC8-methyl-1,6-dioxaspiro[4.5]dec-7-ene
SMILESCC1=COC2(CCCO2)CC1
InChIInChI=1S/C9H14O2/c1-8-3-5-9(11-7-8)4-2-6-10-9/h7H,2-6H2,1H3
InChIKeyHWCUIJGHLFHWTC-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.21
Rot. Bonds

About 8-methyl-1,6-dioxaspiro[4.5]dec-7-ene

8-methyl-1,6-dioxaspiro[4.5]dec-7-ene (PubChem CID 13237180) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 8-methyl-1,6-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-methyl-1,6-dioxaspiro[4.5]dec-7-ene
PubChem CID13237180
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name8-methyl-1,6-dioxaspiro[4.5]dec-7-ene
SMILESCC1=COC2(CCCO2)CC1
InChIInChI=1S/C9H14O2/c1-8-3-5-9(11-7-8)4-2-6-10-9/h7H,2-6H2,1H3
InChIKeyHWCUIJGHLFHWTC-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,6-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-methyl-1,6-dioxaspiro[4.5]dec-7-ene (CID 13237180) is 8-methyl-1,6-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-methyl-1,6-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-methyl-1,6-dioxaspiro[4.5]dec-7-ene is CC1=COC2(CCCO2)CC1.
What is the InChIKey of 8-methyl-1,6-dioxaspiro[4.5]dec-7-ene?
The InChIKey is HWCUIJGHLFHWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8-3-5-9(11-7-8)4-2-6-10-9/h7H,2-6H2,1H3.
What are the key properties of 8-methyl-1,6-dioxaspiro[4.5]dec-7-ene?
8-methyl-1,6-dioxaspiro[4.5]dec-7-ene has a molecular weight of 154.21 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,6-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 13237180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).