(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol

C11H16O2 — CID 102385262

IUPAC(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol
SMILESC/C=C/[C@H]1C[C@@H](O)C2=C(CCC2)O1
InChIInChI=1S/C11H16O2/c1-2-4-8-7-10(12)9-5-3-6-11(9)13-8/h2,4,8,10,12H,3,5-7H2,1H3/b4-2+/t8-,10+/m0/s1
InChIKeyGXJZDUXXIMHENP-ZWCINGSQSA-N
MW180.25 g/mol
LogP2.15
Rot. Bonds1

About (2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol

(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol (PubChem CID 102385262) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol.

Molecular Properties

Compound Name(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol
PubChem CID102385262
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol
SMILESC/C=C/[C@H]1C[C@@H](O)C2=C(CCC2)O1
InChIInChI=1S/C11H16O2/c1-2-4-8-7-10(12)9-5-3-6-11(9)13-8/h2,4,8,10,12H,3,5-7H2,1H3/b4-2+/t8-,10+/m0/s1
InChIKeyGXJZDUXXIMHENP-ZWCINGSQSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 (2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol?
The IUPAC name of (2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol (CID 102385262) is (2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol.
What is the SMILES notation for (2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol?
The canonical SMILES for (2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol is C/C=C/[C@H]1C[C@@H](O)C2=C(CCC2)O1.
What is the InChIKey of (2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol?
The InChIKey is GXJZDUXXIMHENP-ZWCINGSQSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-4-8-7-10(12)9-5-3-6-11(9)13-8/h2,4,8,10,12H,3,5-7H2,1H3/b4-2+/t8-,10+/m0/s1.
What are the key properties of (2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol?
(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol has a molecular weight of 180.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol is sourced from PubChem (CID 102385262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).