(3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol

C9H16O3 — CID 25208490

IUPAC(3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol
SMILESCC[C@]12CCO[C@H]1OC(O)CC2
InChIInChI=1S/C9H16O3/c1-2-9-4-3-7(10)12-8(9)11-6-5-9/h7-8,10H,2-6H2,1H3/t7?,8-,9-/m0/s1
InChIKeyZBADWNYZAANMPD-NPPUSCPJSA-N
MW172.22 g/mol
LogP1.26
Rot. Bonds1

About (3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol

(3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol (PubChem CID 25208490) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol.

Molecular Properties

Compound Name(3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol
PubChem CID25208490
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol
SMILESCC[C@]12CCO[C@H]1OC(O)CC2
InChIInChI=1S/C9H16O3/c1-2-9-4-3-7(10)12-8(9)11-6-5-9/h7-8,10H,2-6H2,1H3/t7?,8-,9-/m0/s1
InChIKeyZBADWNYZAANMPD-NPPUSCPJSA-N
XLogP1.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol?
The IUPAC name of (3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol (CID 25208490) is (3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol.
What is the SMILES notation for (3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol?
The canonical SMILES for (3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol is CC[C@]12CCO[C@H]1OC(O)CC2.
What is the InChIKey of (3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol?
The InChIKey is ZBADWNYZAANMPD-NPPUSCPJSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-9-4-3-7(10)12-8(9)11-6-5-9/h7-8,10H,2-6H2,1H3/t7?,8-,9-/m0/s1.
What are the key properties of (3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol?
(3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol has a molecular weight of 172.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol is sourced from PubChem (CID 25208490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).