4-methyl-1,9-dioxaspiro[5.5]undecane

C10H18O2 — CID 131067264

IUPAC4-methyl-1,9-dioxaspiro[5.5]undecane
SMILESCC1CCOC2(CCOCC2)C1
InChIInChI=1S/C10H18O2/c1-9-2-5-12-10(8-9)3-6-11-7-4-10/h9H,2-8H2,1H3
InChIKeyWPXZMWJTAXVTCR-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds

About 4-methyl-1,9-dioxaspiro[5.5]undecane

4-methyl-1,9-dioxaspiro[5.5]undecane (PubChem CID 131067264) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methyl-1,9-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-methyl-1,9-dioxaspiro[5.5]undecane
PubChem CID131067264
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-methyl-1,9-dioxaspiro[5.5]undecane
SMILESCC1CCOC2(CCOCC2)C1
InChIInChI=1S/C10H18O2/c1-9-2-5-12-10(8-9)3-6-11-7-4-10/h9H,2-8H2,1H3
InChIKeyWPXZMWJTAXVTCR-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
(7S)-7-methyl-4-oxaspiro[2.5]octane
CID 139336511
ethane;6-methyl-1-oxaspiro[3.4]octane
CID 144986625
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine
CID 79912664
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
4-iodo-1,9-dioxaspiro[5.5]undecane
CID 79923455
1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
CID 81014927
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 79915523
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
CID 79911630
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,9-dioxaspiro[5.5]undecane?
The IUPAC name of 4-methyl-1,9-dioxaspiro[5.5]undecane (CID 131067264) is 4-methyl-1,9-dioxaspiro[5.5]undecane.
What is the SMILES notation for 4-methyl-1,9-dioxaspiro[5.5]undecane?
The canonical SMILES for 4-methyl-1,9-dioxaspiro[5.5]undecane is CC1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-methyl-1,9-dioxaspiro[5.5]undecane?
The InChIKey is WPXZMWJTAXVTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9-2-5-12-10(8-9)3-6-11-7-4-10/h9H,2-8H2,1H3.
What are the key properties of 4-methyl-1,9-dioxaspiro[5.5]undecane?
4-methyl-1,9-dioxaspiro[5.5]undecane has a molecular weight of 170.25 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,9-dioxaspiro[5.5]undecane is sourced from PubChem (CID 131067264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).