(2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran

C14H18O3 — CID 101149043

IUPAC(2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran
SMILESC1=CC[C@@H]([C@H]2C=C[C@H]([C@@H]3CC=CCO3)O2)OC1
InChIInChI=1S/C14H18O3/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12/h1-4,7-8,11-14H,5-6,9-10H2/t11-,12-,13+,14+/m0/s1
InChIKeyCSNZRHRGUSFAEZ-IGQOVBAYSA-N
MW234.29 g/mol
LogP2.00
Rot. Bonds2

About (2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran

(2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran (PubChem CID 101149043) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran
PubChem CID101149043
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran
SMILESC1=CC[C@@H]([C@H]2C=C[C@H]([C@@H]3CC=CCO3)O2)OC1
InChIInChI=1S/C14H18O3/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12/h1-4,7-8,11-14H,5-6,9-10H2/t11-,12-,13+,14+/m0/s1
InChIKeyCSNZRHRGUSFAEZ-IGQOVBAYSA-N
XLogP2.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran (CID 101149043) is (2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran is C1=CC[C@@H]([C@H]2C=C[C@H]([C@@H]3CC=CCO3)O2)OC1.
What is the InChIKey of (2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran?
The InChIKey is CSNZRHRGUSFAEZ-IGQOVBAYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12/h1-4,7-8,11-14H,5-6,9-10H2/t11-,12-,13+,14+/m0/s1.
What are the key properties of (2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran?
(2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran has a molecular weight of 234.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 101149043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).