2-methyl-1,7-dioxaspiro[5.5]undec-4-ene

C10H16O2 — CID 14832114

IUPAC2-methyl-1,7-dioxaspiro[5.5]undec-4-ene
SMILESCC1CC=CC2(CCCCO2)O1
InChIInChI=1S/C10H16O2/c1-9-5-4-7-10(12-9)6-2-3-8-11-10/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyUBRKXVAPUGPPAA-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds

About 2-methyl-1,7-dioxaspiro[5.5]undec-4-ene

2-methyl-1,7-dioxaspiro[5.5]undec-4-ene (PubChem CID 14832114) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-1,7-dioxaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name2-methyl-1,7-dioxaspiro[5.5]undec-4-ene
PubChem CID14832114
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methyl-1,7-dioxaspiro[5.5]undec-4-ene
SMILESCC1CC=CC2(CCCCO2)O1
InChIInChI=1S/C10H16O2/c1-9-5-4-7-10(12-9)6-2-3-8-11-10/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyUBRKXVAPUGPPAA-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,7-Dioxaspiro[5.5]undec-4-ene
CID 565984
1,7-Dioxaspiro[5.5]undec-3-ene
CID 10103357
1,6-Dioxaspiro[4.5]dec-3-ene
CID 13841628
(6R)-1,7-dioxaspiro[5.5]undec-4-ene
CID 13841635
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
(6R)-2,2,4-trimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 102279170
4-Methylene-6-(2-methylprop-1-enyl)-2-ethoxy-tetrahydro-2h-pyran
CID 129745543
[(5R)-1,7-dioxaspiro[5.5]undec-3-en-5-yl] acetate
CID 134840284
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
CID 134857983
2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 134858588
[(5S)-1,7-dioxaspiro[5.5]undec-3-en-5-yl] acetate
CID 134858589
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 134993637

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,7-dioxaspiro[5.5]undec-4-ene?
The IUPAC name of 2-methyl-1,7-dioxaspiro[5.5]undec-4-ene (CID 14832114) is 2-methyl-1,7-dioxaspiro[5.5]undec-4-ene.
What is the SMILES notation for 2-methyl-1,7-dioxaspiro[5.5]undec-4-ene?
The canonical SMILES for 2-methyl-1,7-dioxaspiro[5.5]undec-4-ene is CC1CC=CC2(CCCCO2)O1.
What is the InChIKey of 2-methyl-1,7-dioxaspiro[5.5]undec-4-ene?
The InChIKey is UBRKXVAPUGPPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-5-4-7-10(12-9)6-2-3-8-11-10/h4,7,9H,2-3,5-6,8H2,1H3.
What are the key properties of 2-methyl-1,7-dioxaspiro[5.5]undec-4-ene?
2-methyl-1,7-dioxaspiro[5.5]undec-4-ene has a molecular weight of 168.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,7-dioxaspiro[5.5]undec-4-ene is sourced from PubChem (CID 14832114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).