3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol

C11H18O2 — CID 53473687

IUPAC3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol
SMILESC=CC[C@@H]1O[C@@H](CCCO)CC1=C
InChIInChI=1S/C11H18O2/c1-3-5-11-9(2)8-10(13-11)6-4-7-12/h3,10-12H,1-2,4-8H2/t10-,11-/m0/s1
InChIKeyGTCFNQQERAQEMW-QWRGUYRKSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds5

About 3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol

3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol (PubChem CID 53473687) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol
PubChem CID53473687
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol
SMILESC=CC[C@@H]1O[C@@H](CCCO)CC1=C
InChIInChI=1S/C11H18O2/c1-3-5-11-9(2)8-10(13-11)6-4-7-12/h3,10-12H,1-2,4-8H2/t10-,11-/m0/s1
InChIKeyGTCFNQQERAQEMW-QWRGUYRKSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.05
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 3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol (CID 53473687) is 3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol is C=CC[C@@H]1O[C@@H](CCCO)CC1=C.
What is the InChIKey of 3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol?
The InChIKey is GTCFNQQERAQEMW-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-11-9(2)8-10(13-11)6-4-7-12/h3,10-12H,1-2,4-8H2/t10-,11-/m0/s1.
What are the key properties of 3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol?
3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,5S)-4-methylidene-5-prop-2-enyloxolan-2-yl]propan-1-ol is sourced from PubChem (CID 53473687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).