(1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol

C10H16O2 — CID 11846080

IUPAC(1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol
SMILESC=CC[C@@H]1CC[C@@H]([C@@H](O)C=C)O1
InChIInChI=1S/C10H16O2/c1-3-5-8-6-7-10(12-8)9(11)4-2/h3-4,8-11H,1-2,5-7H2/t8-,9+,10+/m1/s1
InChIKeyUAMQYKRHHGNEJF-UTLUCORTSA-N
MW168.24 g/mol
LogP1.66
Rot. Bonds4

About (1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol

(1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol (PubChem CID 11846080) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol
PubChem CID11846080
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol
SMILESC=CC[C@@H]1CC[C@@H]([C@@H](O)C=C)O1
InChIInChI=1S/C10H16O2/c1-3-5-8-6-7-10(12-8)9(11)4-2/h3-4,8-11H,1-2,5-7H2/t8-,9+,10+/m1/s1
InChIKeyUAMQYKRHHGNEJF-UTLUCORTSA-N
XLogP1.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.66
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 (1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol?
The IUPAC name of (1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol (CID 11846080) is (1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol is C=CC[C@@H]1CC[C@@H]([C@@H](O)C=C)O1.
What is the InChIKey of (1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol?
The InChIKey is UAMQYKRHHGNEJF-UTLUCORTSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-8-6-7-10(12-8)9(11)4-2/h3-4,8-11H,1-2,5-7H2/t8-,9+,10+/m1/s1.
What are the key properties of (1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol?
(1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 11846080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).