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

C9H16O3 — CID 130875048

IUPAC(2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol
SMILESCC[C@]12CCCO[C@H]1O[C@H](O)C2
InChIInChI=1S/C9H16O3/c1-2-9-4-3-5-11-8(9)12-7(10)6-9/h7-8,10H,2-6H2,1H3/t7-,8-,9+/m0/s1
InChIKeyGMMNPKVSARTKIV-XHNCKOQMSA-N
MW172.22 g/mol
LogP1.26
Rot. Bonds1

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

(2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol (PubChem CID 130875048) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol.

Molecular Properties

Compound Name(2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol
PubChem CID130875048
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol
SMILESCC[C@]12CCCO[C@H]1O[C@H](O)C2
InChIInChI=1S/C9H16O3/c1-2-9-4-3-5-11-8(9)12-7(10)6-9/h7-8,10H,2-6H2,1H3/t7-,8-,9+/m0/s1
InChIKeyGMMNPKVSARTKIV-XHNCKOQMSA-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

Analyze (2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol with MolForge

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Related Compounds

(3aS,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-ol
CID 25208490
(4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine
CID 177422774
[1-(1,3-dioxolan-2-yl)cyclopentyl]methanol
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2-(1-ethylcyclohexyl)oxirane
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(2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol
CID 163633653
4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol
CID 123385352
cis-(1S,2R)-1-ethylcyclobutane-1,2-diol
CID 102159302
3-cyclopropyl-3-ethylpiperidine
CID 64919354
2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol
CID 145143848
(2S,3R)-2-ethyloxan-3-ol
CID 101188955
[1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol
CID 79656703
1-ethylbicyclo[2.2.0]hexane
CID 90977886

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol?
The IUPAC name of (2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol (CID 130875048) is (2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol.
What is the SMILES notation for (2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol?
The canonical SMILES for (2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol is CC[C@]12CCCO[C@H]1O[C@H](O)C2.
What is the InChIKey of (2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol?
The InChIKey is GMMNPKVSARTKIV-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-9-4-3-5-11-8(9)12-7(10)6-9/h7-8,10H,2-6H2,1H3/t7-,8-,9+/m0/s1.
What are the key properties of (2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol?
(2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-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 (2S,3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-ol is sourced from PubChem (CID 130875048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).