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

C12H22O2 — CID 137382626

IUPAC(6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCCC1CO[C@@H]2C(CCC)COC12
InChIInChI=1S/C12H22O2/c1-3-5-9-7-13-12-10(6-4-2)8-14-11(9)12/h9-12H,3-8H2,1-2H3/t9?,10?,11-,12?/m1/s1
InChIKeyKKTYJWAYNODLCM-QDLLBCNESA-N
MW198.31 g/mol
LogP2.62
Rot. Bonds4

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

(6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 137382626) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID137382626
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCCC1CO[C@@H]2C(CCC)COC12
InChIInChI=1S/C12H22O2/c1-3-5-9-7-13-12-10(6-4-2)8-14-11(9)12/h9-12H,3-8H2,1-2H3/t9?,10?,11-,12?/m1/s1
InChIKeyKKTYJWAYNODLCM-QDLLBCNESA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Related Compounds

(3S,3aR,6R,6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59336408
(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 131969290
2-[(3R,3aR,6aR)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol
CID 118424602
(3S,3aS,6S,6aS)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 167164365
(3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 167164360
2-alumanyl-4-fluoro-5-propyloxan-3-amine
CID 163485497
ethane;methane;3-methyl-4-propyloxolane
CID 144611295
ethyl 3-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]propanoate
CID 90286026
CID 175475934
CID 175475934
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
1-propyl-2-undecylcyclopropane
CID 123636027
2,5-dipropyl-1,3-dioxane
CID 21043213

Frequently Asked Questions

What is the IUPAC name of (6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 137382626) is (6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CCCC1CO[C@@H]2C(CCC)COC12.
What is the InChIKey of (6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is KKTYJWAYNODLCM-QDLLBCNESA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-9-7-13-12-10(6-4-2)8-14-11(9)12/h9-12H,3-8H2,1-2H3/t9?,10?,11-,12?/m1/s1.
What are the key properties of (6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 198.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 137382626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).