(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran

C10H18O2 — CID 129384273

IUPAC(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
SMILESCC(C)[C@H]1CO[C@H]2OCCC[C@@H]21
InChIInChI=1S/C10H18O2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h7-10H,3-6H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyQTEVNNYLBPYFOL-OPRDCNLKSA-N
MW170.25 g/mol
LogP2.04
Rot. Bonds1

About (3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran

(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran (PubChem CID 129384273) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran.

Molecular Properties

Compound Name(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
PubChem CID129384273
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
SMILESCC(C)[C@H]1CO[C@H]2OCCC[C@@H]21
InChIInChI=1S/C10H18O2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h7-10H,3-6H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyQTEVNNYLBPYFOL-OPRDCNLKSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 12794840
(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
CID 168806691
8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 176780580
methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
CID 160985964
3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan
CID 118613005
(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 58779336
2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane
CID 130985864
acetic acid;3-propan-2-yloxan-2-ol
CID 71379645
2,7-dioxabicyclo[3.2.0]heptane
CID 118053300
(2S,3R)-3-methyl-2-propan-2-yloxane
CID 121477247
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
(3aS,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144802403

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
The IUPAC name of (3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran (CID 129384273) is (3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran.
What is the SMILES notation for (3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
The canonical SMILES for (3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran is CC(C)[C@H]1CO[C@H]2OCCC[C@@H]21.
What is the InChIKey of (3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
The InChIKey is QTEVNNYLBPYFOL-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h7-10H,3-6H2,1-2H3/t8-,9-,10-/m1/s1.
What are the key properties of (3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran has a molecular weight of 170.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran is sourced from PubChem (CID 129384273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).