(3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan

C9H16O2 — CID 58526212

IUPAC(3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan
SMILESCC1CO[C@]2(C)C(C)CO[C@H]12
InChIInChI=1S/C9H16O2/c1-6-4-11-9(3)7(2)5-10-8(6)9/h6-8H,4-5H2,1-3H3/t6?,7?,8-,9-/m1/s1
InChIKeyNDYDALWCPBBACT-GEPGNKONSA-N
MW156.22 g/mol
LogP1.45
Rot. Bonds

About (3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan

(3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan (PubChem CID 58526212) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan.

Molecular Properties

Compound Name(3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan
PubChem CID58526212
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan
SMILESCC1CO[C@]2(C)C(C)CO[C@H]12
InChIInChI=1S/C9H16O2/c1-6-4-11-9(3)7(2)5-10-8(6)9/h6-8H,4-5H2,1-3H3/t6?,7?,8-,9-/m1/s1
InChIKeyNDYDALWCPBBACT-GEPGNKONSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
The IUPAC name of (3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan (CID 58526212) is (3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan.
What is the SMILES notation for (3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
The canonical SMILES for (3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan is CC1CO[C@]2(C)C(C)CO[C@H]12.
What is the InChIKey of (3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
The InChIKey is NDYDALWCPBBACT-GEPGNKONSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-4-11-9(3)7(2)5-10-8(6)9/h6-8H,4-5H2,1-3H3/t6?,7?,8-,9-/m1/s1.
What are the key properties of (3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
(3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan has a molecular weight of 156.22 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3,6,6a-trimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan is sourced from PubChem (CID 58526212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).