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

C8H14O2 — CID 144631542

IUPAC(3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan
SMILESC[C@]12CCO[C@@]1(C)CCO2
InChIInChI=1S/C8H14O2/c1-7-3-5-10-8(7,2)4-6-9-7/h3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeySWCSJSBBSUHGKU-YUMQZZPRSA-N
MW142.20 g/mol
LogP1.34
Rot. Bonds

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

(3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan (PubChem CID 144631542) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan
PubChem CID144631542
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan
SMILESC[C@]12CCO[C@@]1(C)CCO2
InChIInChI=1S/C8H14O2/c1-7-3-5-10-8(7,2)4-6-9-7/h3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeySWCSJSBBSUHGKU-YUMQZZPRSA-N
XLogP1.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan?
The IUPAC name of (3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan (CID 144631542) is (3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan.
What is the SMILES notation for (3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan?
The canonical SMILES for (3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan is C[C@]12CCO[C@@]1(C)CCO2.
What is the InChIKey of (3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan?
The InChIKey is SWCSJSBBSUHGKU-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O2/c1-7-3-5-10-8(7,2)4-6-9-7/h3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan?
(3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan has a molecular weight of 142.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan is sourced from PubChem (CID 144631542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).