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

C11H18O2 — CID 102108258

IUPAC(E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol
SMILESCC1(C)[C@H](/C=C/CO)[C@@H]1/C=C/CO
InChIInChI=1S/C11H18O2/c1-11(2)9(5-3-7-12)10(11)6-4-8-13/h3-6,9-10,12-13H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10+
InChIKeyNMVLCTVASHJKFN-YVRBYKCLSA-N
MW182.26 g/mol
LogP1.36
Rot. Bonds4

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

(E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol (PubChem CID 102108258) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol
PubChem CID102108258
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol
SMILESCC1(C)[C@H](/C=C/CO)[C@@H]1/C=C/CO
InChIInChI=1S/C11H18O2/c1-11(2)9(5-3-7-12)10(11)6-4-8-13/h3-6,9-10,12-13H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10+
InChIKeyNMVLCTVASHJKFN-YVRBYKCLSA-N
XLogP1.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.36
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,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol (CID 102108258) is (E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol is CC1(C)[C@H](/C=C/CO)[C@@H]1/C=C/CO.
What is the InChIKey of (E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol?
The InChIKey is NMVLCTVASHJKFN-YVRBYKCLSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(2)9(5-3-7-12)10(11)6-4-8-13/h3-6,9-10,12-13H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10+.
What are the key properties of (E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol?
(E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol has a molecular weight of 182.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(1S,3R)-3-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethylcyclopropyl]prop-2-en-1-ol is sourced from PubChem (CID 102108258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).