(3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan

C12H18O2 — CID 11830317

IUPAC(3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan
SMILESC1=C[C@@H]2CC(C3CCCCC3)O[C@@H]2O1
InChIInChI=1S/C12H18O2/c1-2-4-9(5-3-1)11-8-10-6-7-13-12(10)14-11/h6-7,9-12H,1-5,8H2/t10-,11?,12+/m1/s1
InChIKeyGAEVKAFGESOSHS-LWALXPGCSA-N
MW194.27 g/mol
LogP2.84
Rot. Bonds1

About (3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan

(3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan (PubChem CID 11830317) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan.

Molecular Properties

Compound Name(3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan
PubChem CID11830317
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan
SMILESC1=C[C@@H]2CC(C3CCCCC3)O[C@@H]2O1
InChIInChI=1S/C12H18O2/c1-2-4-9(5-3-1)11-8-10-6-7-13-12(10)14-11/h6-7,9-12H,1-5,8H2/t10-,11?,12+/m1/s1
InChIKeyGAEVKAFGESOSHS-LWALXPGCSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan?
The IUPAC name of (3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan (CID 11830317) is (3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan.
What is the SMILES notation for (3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan?
The canonical SMILES for (3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan is C1=C[C@@H]2CC(C3CCCCC3)O[C@@H]2O1.
What is the InChIKey of (3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan?
The InChIKey is GAEVKAFGESOSHS-LWALXPGCSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-4-9(5-3-1)11-8-10-6-7-13-12(10)14-11/h6-7,9-12H,1-5,8H2/t10-,11?,12+/m1/s1.
What are the key properties of (3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan?
(3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan has a molecular weight of 194.27 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-cyclohexyl-3a,4,5,6a-tetrahydrofuro[2,3-b]furan is sourced from PubChem (CID 11830317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).