(3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene

C15H26O2 — CID 145335226

IUPAC(3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene
SMILESC=CCC.C=CCCC1CO[C@@H]2C(C)CO[C@H]12
InChIInChI=1S/C11H18O2.C4H8/c1-3-4-5-9-7-13-10-8(2)6-12-11(9)10;1-3-4-2/h3,8-11H,1,4-7H2,2H3;3H,1,4H2,2H3/t8?,9?,10-,11-;/m1./s1
InChIKeyZKLQJRFFRKLWNI-GFFWJRRDSA-N
MW238.37 g/mol
LogP3.58
Rot. Bonds4

About (3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene

(3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene (PubChem CID 145335226) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene.

Molecular Properties

Compound Name(3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene
PubChem CID145335226
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene
SMILESC=CCC.C=CCCC1CO[C@@H]2C(C)CO[C@H]12
InChIInChI=1S/C11H18O2.C4H8/c1-3-4-5-9-7-13-10-8(2)6-12-11(9)10;1-3-4-2/h3,8-11H,1,4-7H2,2H3;3H,1,4H2,2H3/t8?,9?,10-,11-;/m1./s1
InChIKeyZKLQJRFFRKLWNI-GFFWJRRDSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.58
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)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene?
The IUPAC name of (3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene (CID 145335226) is (3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene.
What is the SMILES notation for (3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene?
The canonical SMILES for (3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene is C=CCC.C=CCCC1CO[C@@H]2C(C)CO[C@H]12.
What is the InChIKey of (3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene?
The InChIKey is ZKLQJRFFRKLWNI-GFFWJRRDSA-N. The full InChI is InChI=1S/C11H18O2.C4H8/c1-3-4-5-9-7-13-10-8(2)6-12-11(9)10;1-3-4-2/h3,8-11H,1,4-7H2,2H3;3H,1,4H2,2H3/t8?,9?,10-,11-;/m1./s1.
What are the key properties of (3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene?
(3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene has a molecular weight of 238.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-6-but-3-enyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;but-1-ene is sourced from PubChem (CID 145335226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).