(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran

C11H18O3 — CID 101441100

IUPAC(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran
SMILESCC1=CCC[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C11H18O3/c1-8-5-4-6-9(13-8)10-7-12-11(2,3)14-10/h5,9-10H,4,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyZOTOGGFKVPPTTL-VHSXEESVSA-N
MW198.26 g/mol
LogP2.22
Rot. Bonds1

About (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran

(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran (PubChem CID 101441100) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran
PubChem CID101441100
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran
SMILESCC1=CCC[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C11H18O3/c1-8-5-4-6-9(13-8)10-7-12-11(2,3)14-10/h5,9-10H,4,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyZOTOGGFKVPPTTL-VHSXEESVSA-N
XLogP2.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran (CID 101441100) is (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran is CC1=CCC[C@@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran?
The InChIKey is ZOTOGGFKVPPTTL-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18O3/c1-8-5-4-6-9(13-8)10-7-12-11(2,3)14-10/h5,9-10H,4,6-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran?
(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran has a molecular weight of 198.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 101441100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).