(1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol

C8H14O3 — CID 156874453

IUPAC(1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol
SMILESC[C@H](O)C1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C8H14O3/c1-5(9)6-4-11-7-2-3-10-8(6)7/h5-9H,2-4H2,1H3/t5-,6?,7+,8+/m0/s1
InChIKeyYYYGUBDOGZOYOV-KTGGKTQHSA-N
MW158.20 g/mol
LogP0.17
Rot. Bonds1

About (1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol

(1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol (PubChem CID 156874453) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol
PubChem CID156874453
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol
SMILESC[C@H](O)C1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C8H14O3/c1-5(9)6-4-11-7-2-3-10-8(6)7/h5-9H,2-4H2,1H3/t5-,6?,7+,8+/m0/s1
InChIKeyYYYGUBDOGZOYOV-KTGGKTQHSA-N
XLogP0.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol?
The IUPAC name of (1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol (CID 156874453) is (1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol.
What is the SMILES notation for (1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol?
The canonical SMILES for (1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol is C[C@H](O)C1CO[C@@H]2CCO[C@H]12.
What is the InChIKey of (1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol?
The InChIKey is YYYGUBDOGZOYOV-KTGGKTQHSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(9)6-4-11-7-2-3-10-8(6)7/h5-9H,2-4H2,1H3/t5-,6?,7+,8+/m0/s1.
What are the key properties of (1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol?
(1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol has a molecular weight of 158.20 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol is sourced from PubChem (CID 156874453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).