(3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane

C16H30O2 — CID 158761039

IUPAC(3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane
SMILESCC1C=COC[C@@H]1C.CC1OC[C@H](C)C(C)[C@@H]1C
InChIInChI=1S/C9H18O.C7H12O/c1-6-5-10-9(4)8(3)7(6)2;1-6-3-4-8-5-7(6)2/h6-9H,5H2,1-4H3;3-4,6-7H,5H2,1-2H3/t6-,7?,8-,9?;6?,7-/m00/s1
InChIKeyIORBSTJVOWMFIT-LHQDRXTHSA-N
MW254.41 g/mol
LogP4.12
Rot. Bonds

About (3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane

(3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane (PubChem CID 158761039) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane.

Molecular Properties

Compound Name(3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane
PubChem CID158761039
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane
SMILESCC1C=COC[C@@H]1C.CC1OC[C@H](C)C(C)[C@@H]1C
InChIInChI=1S/C9H18O.C7H12O/c1-6-5-10-9(4)8(3)7(6)2;1-6-3-4-8-5-7(6)2/h6-9H,5H2,1-4H3;3-4,6-7H,5H2,1-2H3/t6-,7?,8-,9?;6?,7-/m00/s1
InChIKeyIORBSTJVOWMFIT-LHQDRXTHSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane with MolForge

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Related Compounds

5,5-Dimethyl-1,9-dioxaspiro[5.5]undec-2-ene
CID 642963
1-[(E)-2-methoxyethenyl]-4-propoxycyclohexane
CID 20497774
3,4,6-Trimethyl-2-methylideneoxane
CID 20614547
2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
CID 22082043
trans-2-(4-n-Propyloxycyclohexyl)vinyl methyl ether
CID 56632601
2,2-dimethyl-4-[(E)-2-(methyloxy)ethenyl]tetrahydro-2H-pyran
CID 57699609
2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran
CID 58469898
(3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
CID 58859623
(3R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
CID 59974305
4-(2-Methoxyethenyl)-2,2-dimethyloxane
CID 67314163
5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
CID 67917175
(3S,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
CID 68185732

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane?
The IUPAC name of (3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane (CID 158761039) is (3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane.
What is the SMILES notation for (3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane?
The canonical SMILES for (3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane is CC1C=COC[C@@H]1C.CC1OC[C@H](C)C(C)[C@@H]1C.
What is the InChIKey of (3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane?
The InChIKey is IORBSTJVOWMFIT-LHQDRXTHSA-N. The full InChI is InChI=1S/C9H18O.C7H12O/c1-6-5-10-9(4)8(3)7(6)2;1-6-3-4-8-5-7(6)2/h6-9H,5H2,1-4H3;3-4,6-7H,5H2,1-2H3/t6-,7?,8-,9?;6?,7-/m00/s1.
What are the key properties of (3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane?
(3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane has a molecular weight of 254.41 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane is sourced from PubChem (CID 158761039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).