(3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan

C8H12O2 — CID 163761587

IUPAC(3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan
SMILESC=C1CO[C@@H]2C(C)CO[C@H]12
InChIInChI=1S/C8H12O2/c1-5-3-9-8-6(2)4-10-7(5)8/h6-8H,1,3-4H2,2H3/t6?,7-,8-/m1/s1
InChIKeyLYQBJAFSCSNASL-SPDVFEMOSA-N
MW140.18 g/mol
LogP0.98
Rot. Bonds

About (3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan

(3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan (PubChem CID 163761587) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan
PubChem CID163761587
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan
SMILESC=C1CO[C@@H]2C(C)CO[C@H]12
InChIInChI=1S/C8H12O2/c1-5-3-9-8-6(2)4-10-7(5)8/h6-8H,1,3-4H2,2H3/t6?,7-,8-/m1/s1
InChIKeyLYQBJAFSCSNASL-SPDVFEMOSA-N
XLogP0.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan?
The IUPAC name of (3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan (CID 163761587) is (3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan.
What is the SMILES notation for (3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan?
The canonical SMILES for (3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan is C=C1CO[C@@H]2C(C)CO[C@H]12.
What is the InChIKey of (3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan?
The InChIKey is LYQBJAFSCSNASL-SPDVFEMOSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-3-9-8-6(2)4-10-7(5)8/h6-8H,1,3-4H2,2H3/t6?,7-,8-/m1/s1.
What are the key properties of (3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan?
(3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan has a molecular weight of 140.18 g/mol, XLogP of 0.98, 0 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-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan is sourced from PubChem (CID 163761587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).