(7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one

C8H12O5 — CID 145071276

IUPAC(7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one
SMILESCC1OC2COC(=O)O[C@H]2[C@]1(C)O
InChIInChI=1S/C8H12O5/c1-4-8(2,10)6-5(12-4)3-11-7(9)13-6/h4-6,10H,3H2,1-2H3/t4?,5?,6-,8-/m1/s1
InChIKeyNFGFTOZFESVLJM-KIMARDCLSA-N
MW188.18 g/mol
LogP0.06
Rot. Bonds

About (7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one

(7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one (PubChem CID 145071276) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is (7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one.

Molecular Properties

Compound Name(7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one
PubChem CID145071276
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name(7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one
SMILESCC1OC2COC(=O)O[C@H]2[C@]1(C)O
InChIInChI=1S/C8H12O5/c1-4-8(2,10)6-5(12-4)3-11-7(9)13-6/h4-6,10H,3H2,1-2H3/t4?,5?,6-,8-/m1/s1
InChIKeyNFGFTOZFESVLJM-KIMARDCLSA-N
XLogP0.06
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one?
The IUPAC name of (7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one (CID 145071276) is (7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one.
What is the SMILES notation for (7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one?
The canonical SMILES for (7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one is CC1OC2COC(=O)O[C@H]2[C@]1(C)O.
What is the InChIKey of (7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one?
The InChIKey is NFGFTOZFESVLJM-KIMARDCLSA-N. The full InChI is InChI=1S/C8H12O5/c1-4-8(2,10)6-5(12-4)3-11-7(9)13-6/h4-6,10H,3H2,1-2H3/t4?,5?,6-,8-/m1/s1.
What are the key properties of (7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one?
(7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one has a molecular weight of 188.18 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one is sourced from PubChem (CID 145071276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).