(1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol

C9H14O2 — CID 14633651

IUPAC(1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol
SMILESC/C=C/[C@@H]1C=C(OC)C[C@H]1O
InChIInChI=1S/C9H14O2/c1-3-4-7-5-8(11-2)6-9(7)10/h3-5,7,9-10H,6H2,1-2H3/b4-3+/t7-,9-/m1/s1
InChIKeyLKUFMYRWXBEMOA-QOQPHZPJSA-N
MW154.21 g/mol
LogP1.47
Rot. Bonds2

About (1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol

(1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol (PubChem CID 14633651) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol
PubChem CID14633651
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol
SMILESC/C=C/[C@@H]1C=C(OC)C[C@H]1O
InChIInChI=1S/C9H14O2/c1-3-4-7-5-8(11-2)6-9(7)10/h3-5,7,9-10H,6H2,1-2H3/b4-3+/t7-,9-/m1/s1
InChIKeyLKUFMYRWXBEMOA-QOQPHZPJSA-N
XLogP1.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.47
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 (1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol?
The IUPAC name of (1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol (CID 14633651) is (1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol.
What is the SMILES notation for (1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol?
The canonical SMILES for (1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol is C/C=C/[C@@H]1C=C(OC)C[C@H]1O.
What is the InChIKey of (1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol?
The InChIKey is LKUFMYRWXBEMOA-QOQPHZPJSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-7-5-8(11-2)6-9(7)10/h3-5,7,9-10H,6H2,1-2H3/b4-3+/t7-,9-/m1/s1.
What are the key properties of (1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol?
(1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol is sourced from PubChem (CID 14633651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).