(2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane

C12H20O2 — CID 73333010

IUPAC(2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane
SMILESC[C@H]1CCC[C@@H](C2=CC(C)(C)CO2)O1
InChIInChI=1S/C12H20O2/c1-9-5-4-6-10(14-9)11-7-12(2,3)8-13-11/h7,9-10H,4-6,8H2,1-3H3/t9-,10-/m0/s1
InChIKeyPSPYOQNVOFIJAH-UWVGGRQHSA-N
MW196.29 g/mol
LogP2.88
Rot. Bonds1

About (2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane

(2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane (PubChem CID 73333010) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane.

Molecular Properties

Compound Name(2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane
PubChem CID73333010
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane
SMILESC[C@H]1CCC[C@@H](C2=CC(C)(C)CO2)O1
InChIInChI=1S/C12H20O2/c1-9-5-4-6-10(14-9)11-7-12(2,3)8-13-11/h7,9-10H,4-6,8H2,1-3H3/t9-,10-/m0/s1
InChIKeyPSPYOQNVOFIJAH-UWVGGRQHSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-2-tetradecyl-2,5-dihydrofuran
CID 101895600
3-Methoxy-2-undecyl-2,5-dihydrofuran
CID 102055856
2-(2-Ethyl-2,3-dihydrofuran-5-yl)oxane
CID 134948499
(3aS,7aS)-3a-methyl-2-(oxan-2-yl)-5,6,7,7a-tetrahydro-4H-1-benzofuran
CID 134948625
5-[(2R,5S)-5-ethyloxolan-2-yl]-3,3-dimethyl-2H-furan
CID 134965937
(1S,9E,11R)-2,12-dioxabicyclo[9.4.0]pentadec-9-ene
CID 10488669
2-Hexyl-3-methoxy-2,5-dihydrofuran
CID 11389794
1-(2-Methoxyprop-2-enoxymethyl)cyclohexene
CID 13618024
3-(Methoxymethylidene)-8-oxabicyclo[3.2.1]oct-6-ene
CID 18173092
2-(Cyclohexen-1-yl)-1,4-dioxane
CID 57296326
(4Z)-4-ethylidene-3-methoxy-2-methyloxane
CID 88988818
4-Ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene
CID 90907248

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane?
The IUPAC name of (2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane (CID 73333010) is (2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane.
What is the SMILES notation for (2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane?
The canonical SMILES for (2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane is C[C@H]1CCC[C@@H](C2=CC(C)(C)CO2)O1.
What is the InChIKey of (2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane?
The InChIKey is PSPYOQNVOFIJAH-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-5-4-6-10(14-9)11-7-12(2,3)8-13-11/h7,9-10H,4-6,8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane?
(2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane has a molecular weight of 196.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane is sourced from PubChem (CID 73333010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).