(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C10H18O2 — CID 131969290

IUPAC(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCCC1CO[C@@H]2C(C)CO[C@H]12
InChIInChI=1S/C10H18O2/c1-3-4-8-6-12-9-7(2)5-11-10(8)9/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10-/m1/s1
InChIKeyNKFDVJKMLCQLIX-YDYPAMBWSA-N
MW170.25 g/mol
LogP1.84
Rot. Bonds2

About (3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 131969290) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID131969290
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCCC1CO[C@@H]2C(C)CO[C@H]12
InChIInChI=1S/C10H18O2/c1-3-4-8-6-12-9-7(2)5-11-10(8)9/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10-/m1/s1
InChIKeyNKFDVJKMLCQLIX-YDYPAMBWSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 131969290) is (3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CCCC1CO[C@@H]2C(C)CO[C@H]12.
What is the InChIKey of (3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is NKFDVJKMLCQLIX-YDYPAMBWSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-8-6-12-9-7(2)5-11-10(8)9/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10-/m1/s1.
What are the key properties of (3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 170.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 131969290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).