2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane

C12H18O2 — CID 142218605

IUPAC2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane
SMILESCC1=CC=C(C2COC(C)CO2)C1C
InChIInChI=1S/C12H18O2/c1-8-4-5-11(10(8)3)12-7-13-9(2)6-14-12/h4-5,9-10,12H,6-7H2,1-3H3
InChIKeyRUWXNUAHNCXCOZ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.31
Rot. Bonds1

About 2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane

2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane (PubChem CID 142218605) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane.

Molecular Properties

Compound Name2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane
PubChem CID142218605
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane
SMILESCC1=CC=C(C2COC(C)CO2)C1C
InChIInChI=1S/C12H18O2/c1-8-4-5-11(10(8)3)12-7-13-9(2)6-14-12/h4-5,9-10,12H,6-7H2,1-3H3
InChIKeyRUWXNUAHNCXCOZ-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Rose oxide
CID 27866
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
Rose oxide, trans-(+)-
CID 1712086
2-[Difluoro-(4-methylcyclohexa-2,4-dien-1-yl)oxymethyl]-5-methyloxane
CID 143646705
(2S,4R)-4-methyl-2-[(E)-2-methylbut-1-enyl]oxane
CID 146657605
(2S,4R)-4-methyl-2-[(Z)-2-methylbut-1-enyl]oxane
CID 146657608
(2R,4R)-4-methyl-2-[(E)-2-methylbut-1-enyl]oxane
CID 146657611
(2R,4R)-4-methyl-2-[(Z)-2-methylbut-1-enyl]oxane
CID 146657616
(2S)-5-methyl-2-(2-methylprop-1-enyl)oxane
CID 139243192
(2R,4S)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxane
CID 14805481

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane?
The IUPAC name of 2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane (CID 142218605) is 2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane.
What is the SMILES notation for 2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane?
The canonical SMILES for 2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane is CC1=CC=C(C2COC(C)CO2)C1C.
What is the InChIKey of 2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane?
The InChIKey is RUWXNUAHNCXCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-4-5-11(10(8)3)12-7-13-9(2)6-14-12/h4-5,9-10,12H,6-7H2,1-3H3.
What are the key properties of 2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane?
2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane has a molecular weight of 194.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylcyclopenta-1,3-dien-1-yl)-5-methyl-1,4-dioxane is sourced from PubChem (CID 142218605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).