(3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C14H26O4 — CID 163360487

IUPAC(3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCCCO[C@H]1CO[C@H]2[C@H]1OC[C@@H]2OCCCC
InChIInChI=1S/C14H26O4/c1-3-5-7-15-11-9-17-14-12(10-18-13(11)14)16-8-6-4-2/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14+/m0/s1
InChIKeyOXDOLYXIPWAERZ-XDQVBPFNSA-N
MW258.36 g/mol
LogP2.15
Rot. Bonds8

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

(3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 163360487) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID163360487
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCCCO[C@H]1CO[C@H]2[C@H]1OC[C@@H]2OCCCC
InChIInChI=1S/C14H26O4/c1-3-5-7-15-11-9-17-14-12(10-18-13(11)14)16-8-6-4-2/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14+/m0/s1
InChIKeyOXDOLYXIPWAERZ-XDQVBPFNSA-N
XLogP2.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 163360487) is (3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CCCCO[C@H]1CO[C@H]2[C@H]1OC[C@@H]2OCCCC.
What is the InChIKey of (3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is OXDOLYXIPWAERZ-XDQVBPFNSA-N. The full InChI is InChI=1S/C14H26O4/c1-3-5-7-15-11-9-17-14-12(10-18-13(11)14)16-8-6-4-2/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of (3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 258.36 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6S,6aS)-3,6-dibutoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 163360487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).