(3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran

C8H12O2 — CID 134833577

IUPAC(3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran
SMILESC=CCO[C@H]1C=CCOC1
InChIInChI=1S/C8H12O2/c1-2-5-10-8-4-3-6-9-7-8/h2-4,8H,1,5-7H2/t8-/m0/s1
InChIKeyGROKADMZXFCVCE-QMMMGPOBSA-N
MW140.18 g/mol
LogP1.14
Rot. Bonds3

About (3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran

(3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran (PubChem CID 134833577) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran
PubChem CID134833577
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran
SMILESC=CCO[C@H]1C=CCOC1
InChIInChI=1S/C8H12O2/c1-2-5-10-8-4-3-6-9-7-8/h2-4,8H,1,5-7H2/t8-/m0/s1
InChIKeyGROKADMZXFCVCE-QMMMGPOBSA-N
XLogP1.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.14
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 (3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran?
The IUPAC name of (3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran (CID 134833577) is (3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for (3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for (3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran is C=CCO[C@H]1C=CCOC1.
What is the InChIKey of (3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran?
The InChIKey is GROKADMZXFCVCE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-5-10-8-4-3-6-9-7-8/h2-4,8H,1,5-7H2/t8-/m0/s1.
What are the key properties of (3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran?
(3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran has a molecular weight of 140.18 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-prop-2-enoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134833577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).