(2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran

C11H16O2 — CID 10535383

IUPAC(2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran
SMILESC=CCO[C@@]1(C=C)C=CCO[C@H]1C
InChIInChI=1S/C11H16O2/c1-4-8-13-11(5-2)7-6-9-12-10(11)3/h4-7,10H,1-2,8-9H2,3H3/t10-,11-/m0/s1
InChIKeyFDQQGZZNHJSFHP-QWRGUYRKSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds4

About (2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran

(2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran (PubChem CID 10535383) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran.

Molecular Properties

Compound Name(2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran
PubChem CID10535383
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran
SMILESC=CCO[C@@]1(C=C)C=CCO[C@H]1C
InChIInChI=1S/C11H16O2/c1-4-8-13-11(5-2)7-6-9-12-10(11)3/h4-7,10H,1-2,8-9H2,3H3/t10-,11-/m0/s1
InChIKeyFDQQGZZNHJSFHP-QWRGUYRKSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
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 (2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran?
The IUPAC name of (2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran (CID 10535383) is (2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran.
What is the SMILES notation for (2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran?
The canonical SMILES for (2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran is C=CCO[C@@]1(C=C)C=CCO[C@H]1C.
What is the InChIKey of (2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran?
The InChIKey is FDQQGZZNHJSFHP-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-8-13-11(5-2)7-6-9-12-10(11)3/h4-7,10H,1-2,8-9H2,3H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran?
(2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran has a molecular weight of 180.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran is sourced from PubChem (CID 10535383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).