(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane

C9H18O2 — CID 144768058

IUPAC(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
SMILESCC.CC1CO[C@@H]2OCC[C@H]12
InChIInChI=1S/C7H12O2.C2H6/c1-5-4-9-7-6(5)2-3-8-7;1-2/h5-7H,2-4H2,1H3;1-2H3/t5?,6-,7+;/m1./s1
InChIKeyNNEOYWYZLPPBSP-ABIAQHQTSA-N
MW158.24 g/mol
LogP2.04
Rot. Bonds

About (3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane

(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane (PubChem CID 144768058) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane.

Molecular Properties

Compound Name(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
PubChem CID144768058
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
SMILESCC.CC1CO[C@@H]2OCC[C@H]12
InChIInChI=1S/C7H12O2.C2H6/c1-5-4-9-7-6(5)2-3-8-7;1-2/h5-7H,2-4H2,1H3;1-2H3/t5?,6-,7+;/m1./s1
InChIKeyNNEOYWYZLPPBSP-ABIAQHQTSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane with MolForge

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Related Compounds

(3aS,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144802403
(3aR,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768068
(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 58779336
3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 12794840
(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
CID 142011906
(1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane
CID 130240779
(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;(3aR,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 159842811
(3aR,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 124524160
(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
CID 97302678
(3aS,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 69459334
2,7-dioxabicyclo[3.2.0]heptane
CID 118053300
(3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran
CID 163821136

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane?
The IUPAC name of (3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane (CID 144768058) is (3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane.
What is the SMILES notation for (3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane?
The canonical SMILES for (3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane is CC.CC1CO[C@@H]2OCC[C@H]12.
What is the InChIKey of (3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane?
The InChIKey is NNEOYWYZLPPBSP-ABIAQHQTSA-N. The full InChI is InChI=1S/C7H12O2.C2H6/c1-5-4-9-7-6(5)2-3-8-7;1-2/h5-7H,2-4H2,1H3;1-2H3/t5?,6-,7+;/m1./s1.
What are the key properties of (3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane?
(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane has a molecular weight of 158.24 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane is sourced from PubChem (CID 144768058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).