cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one

C14H22O3 — CID 11195769

IUPACcis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one
SMILESC[C@@H]1CCCC(=O)[C@@]1(C)[C@H]1C[C@@H]2CCO[C@@H]2O1
InChIInChI=1S/C14H22O3/c1-9-4-3-5-11(15)14(9,2)12-8-10-6-7-16-13(10)17-12/h9-10,12-13H,3-8H2,1-2H3/t9-,10+,12-,13-,14+/m1/s1
InChIKeyWUXWKMDEVXTUQW-ZJMQZLNVSA-N
MW238.33 g/mol
LogP2.53
Rot. Bonds1

About cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one

cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one (PubChem CID 11195769) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one
PubChem CID11195769
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Namecis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one
SMILESC[C@@H]1CCCC(=O)[C@@]1(C)[C@H]1C[C@@H]2CCO[C@@H]2O1
InChIInChI=1S/C14H22O3/c1-9-4-3-5-11(15)14(9,2)12-8-10-6-7-16-13(10)17-12/h9-10,12-13H,3-8H2,1-2H3/t9-,10+,12-,13-,14+/m1/s1
InChIKeyWUXWKMDEVXTUQW-ZJMQZLNVSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one?
The IUPAC name of cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one (CID 11195769) is cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one.
What is the SMILES notation for cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one?
The canonical SMILES for cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one is C[C@@H]1CCCC(=O)[C@@]1(C)[C@H]1C[C@@H]2CCO[C@@H]2O1.
What is the InChIKey of cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one?
The InChIKey is WUXWKMDEVXTUQW-ZJMQZLNVSA-N. The full InChI is InChI=1S/C14H22O3/c1-9-4-3-5-11(15)14(9,2)12-8-10-6-7-16-13(10)17-12/h9-10,12-13H,3-8H2,1-2H3/t9-,10+,12-,13-,14+/m1/s1.
What are the key properties of cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one?
cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one has a molecular weight of 238.33 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-2-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 11195769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).