(3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C14H26O6 — CID 102237665

IUPAC(3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCOCCO[C@H]1CO[C@@H]2[C@H]1OC[C@H]2OCCOCC
InChIInChI=1S/C14H26O6/c1-3-15-5-7-17-11-9-19-14-12(10-20-13(11)14)18-8-6-16-4-2/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14-/m0/s1
InChIKeyKCVXAGGMZFDKLE-CRWXNKLISA-N
MW290.36 g/mol
LogP0.63
Rot. Bonds10

About (3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 102237665) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID102237665
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name(3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCOCCO[C@H]1CO[C@@H]2[C@H]1OC[C@H]2OCCOCC
InChIInChI=1S/C14H26O6/c1-3-15-5-7-17-11-9-19-14-12(10-20-13(11)14)18-8-6-16-4-2/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14-/m0/s1
InChIKeyKCVXAGGMZFDKLE-CRWXNKLISA-N
XLogP0.63
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163360489
3-[[6-(3-sulfanylpropoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]propane-1-thiol
CID 123784854
(3S,6R)-6-pentoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 102301263
(3S,3aR,6R,6aR)-6-octoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3R,3aR,6S,6aR)-6-octoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 157491589
3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-1-ol
CID 170789483
4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine
CID 66990422
3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal
CID 170789199
(3R,3aR,6S,6aS)-6-(3,3-dimethylbutoxy)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163610211
1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane
CID 104675598
2-(2-ethoxyethoxy)cyclohexan-1-amine
CID 43183919
(6R)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163672850
(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 21139666

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 102237665) is (3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CCOCCO[C@H]1CO[C@@H]2[C@H]1OC[C@H]2OCCOCC.
What is the InChIKey of (3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is KCVXAGGMZFDKLE-CRWXNKLISA-N. The full InChI is InChI=1S/C14H26O6/c1-3-15-5-7-17-11-9-19-14-12(10-20-13(11)14)18-8-6-16-4-2/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14-/m0/s1.
What are the key properties of (3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 290.36 g/mol, XLogP of 0.63, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 102237665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).