(3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol

C10H16O2 — CID 130348395

IUPAC(3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
SMILESC=CC[C@@]12CCC[C@]1(O)OCC2
InChIInChI=1S/C10H16O2/c1-2-4-9-5-3-6-10(9,11)12-8-7-9/h2,11H,1,3-8H2/t9-,10-/m0/s1
InChIKeyHRIIWQGUOVUYAD-UWVGGRQHSA-N
MW168.24 g/mol
LogP1.84
Rot. Bonds2

About (3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol

(3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol (PubChem CID 130348395) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol.

Molecular Properties

Compound Name(3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
PubChem CID130348395
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
SMILESC=CC[C@@]12CCC[C@]1(O)OCC2
InChIInChI=1S/C10H16O2/c1-2-4-9-5-3-6-10(9,11)12-8-7-9/h2,11H,1,3-8H2/t9-,10-/m0/s1
InChIKeyHRIIWQGUOVUYAD-UWVGGRQHSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.84
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 (3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol?
The IUPAC name of (3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol (CID 130348395) is (3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol.
What is the SMILES notation for (3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol?
The canonical SMILES for (3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol is C=CC[C@@]12CCC[C@]1(O)OCC2.
What is the InChIKey of (3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol?
The InChIKey is HRIIWQGUOVUYAD-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-4-9-5-3-6-10(9,11)12-8-7-9/h2,11H,1,3-8H2/t9-,10-/m0/s1.
What are the key properties of (3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol?
(3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol has a molecular weight of 168.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol is sourced from PubChem (CID 130348395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).