(E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol

C9H14O2 — CID 10855687

IUPAC(E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol
SMILESOC/C=C/[C@@H]1C[C@H]1/C=C/CO
InChIInChI=1S/C9H14O2/c10-5-1-3-8-7-9(8)4-2-6-11/h1-4,8-11H,5-7H2/b3-1+,4-2+/t8-,9-/m1/s1
InChIKeyNLRAJHPHRLPAIY-YEWAYFLDSA-N
MW154.21 g/mol
LogP0.72
Rot. Bonds4

About (E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol

(E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol (PubChem CID 10855687) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol
PubChem CID10855687
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol
SMILESOC/C=C/[C@@H]1C[C@H]1/C=C/CO
InChIInChI=1S/C9H14O2/c10-5-1-3-8-7-9(8)4-2-6-11/h1-4,8-11H,5-7H2/b3-1+,4-2+/t8-,9-/m1/s1
InChIKeyNLRAJHPHRLPAIY-YEWAYFLDSA-N
XLogP0.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.72
H-Bond Donors ≤ 52
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 (E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol (CID 10855687) is (E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol is OC/C=C/[C@@H]1C[C@H]1/C=C/CO.
What is the InChIKey of (E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol?
The InChIKey is NLRAJHPHRLPAIY-YEWAYFLDSA-N. The full InChI is InChI=1S/C9H14O2/c10-5-1-3-8-7-9(8)4-2-6-11/h1-4,8-11H,5-7H2/b3-1+,4-2+/t8-,9-/m1/s1.
What are the key properties of (E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol?
(E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol has a molecular weight of 154.21 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(1S,2S)-2-[(E)-3-hydroxyprop-1-enyl]cyclopropyl]prop-2-en-1-ol is sourced from PubChem (CID 10855687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).