(3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one

C10H16O3 — CID 135036920

IUPAC(3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one
SMILESCC1(C)CC[C@@H]2OC(=O)C[C@]2(C)O1
InChIInChI=1S/C10H16O3/c1-9(2)5-4-7-10(3,13-9)6-8(11)12-7/h7H,4-6H2,1-3H3/t7-,10-/m0/s1
InChIKeyXETSXXKNWGYSBC-XVKPBYJWSA-N
MW184.23 g/mol
LogP1.65
Rot. Bonds

About (3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one

(3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one (PubChem CID 135036920) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one.

Molecular Properties

Compound Name(3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one
PubChem CID135036920
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one
SMILESCC1(C)CC[C@@H]2OC(=O)C[C@]2(C)O1
InChIInChI=1S/C10H16O3/c1-9(2)5-4-7-10(3,13-9)6-8(11)12-7/h7H,4-6H2,1-3H3/t7-,10-/m0/s1
InChIKeyXETSXXKNWGYSBC-XVKPBYJWSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one with MolForge

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Related Compounds

(3R,4aS,7aS)-3-hexadecyl-3,4a-dimethyl-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one
CID 52944481
methyl (2R,3S,5S)-2-(3-methoxy-3-oxopropyl)-5-propyloxolane-3-carboxylate
CID 137640565
(3S,4aS,7aS)-3-Hexadecyl-3,4a-dimethyltetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one
CID 49831496
(3aS,5R,7aS)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 11789446
(3R)-3-[(2R)-oxan-2-yl]oxolan-2-one
CID 101790823
3-Methyl-3-(oxan-2-yl)oxolan-2-one
CID 101790825
(3aS,7aS)-7a-methoxy-3a-methyl-3,5,6,7-tetrahydrofuro[3,2-b]pyran-2-one
CID 101836849
(3aR,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 132551379
3-(Oxan-2-yl)oxolan-2-one
CID 134846959
(3S,3aS,7R,7aR)-7-iodo-3-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 134989246
9-[(3S,4aR,7aR)-3,4a-dimethyl-6-oxo-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-3-yl]nonanal
CID 101563981
9-[(3S,4aS,7aS)-3,4a-dimethyl-6-oxo-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-3-yl]nonanal
CID 101563982

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one?
The IUPAC name of (3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one (CID 135036920) is (3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one.
What is the SMILES notation for (3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one?
The canonical SMILES for (3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one is CC1(C)CC[C@@H]2OC(=O)C[C@]2(C)O1.
What is the InChIKey of (3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one?
The InChIKey is XETSXXKNWGYSBC-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(2)5-4-7-10(3,13-9)6-8(11)12-7/h7H,4-6H2,1-3H3/t7-,10-/m0/s1.
What are the key properties of (3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one?
(3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-3a,5,5-trimethyl-3,6,7,7a-tetrahydrofuro[3,2-b]pyran-2-one is sourced from PubChem (CID 135036920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).