(2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran

C15H18O2 — CID 10775823

IUPAC(2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran
SMILESC=C[C@]1(OCc2ccccc2)C=CCO[C@H]1C
InChIInChI=1S/C15H18O2/c1-3-15(10-7-11-16-13(15)2)17-12-14-8-5-4-6-9-14/h3-10,13H,1,11-12H2,2H3/t13-,15-/m0/s1
InChIKeyXABQRYSKJKEZNJ-ZFWWWQNUSA-N
MW230.31 g/mol
LogP3.10
Rot. Bonds4

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

(2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran (PubChem CID 10775823) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran.

Molecular Properties

Compound Name(2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran
PubChem CID10775823
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran
SMILESC=C[C@]1(OCc2ccccc2)C=CCO[C@H]1C
InChIInChI=1S/C15H18O2/c1-3-15(10-7-11-16-13(15)2)17-12-14-8-5-4-6-9-14/h3-10,13H,1,11-12H2,2H3/t13-,15-/m0/s1
InChIKeyXABQRYSKJKEZNJ-ZFWWWQNUSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.10
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-phenylmethoxy-2,6-dihydropyran?
The IUPAC name of (2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran (CID 10775823) is (2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran.
What is the SMILES notation for (2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran?
The canonical SMILES for (2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran is C=C[C@]1(OCc2ccccc2)C=CCO[C@H]1C.
What is the InChIKey of (2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran?
The InChIKey is XABQRYSKJKEZNJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-15(10-7-11-16-13(15)2)17-12-14-8-5-4-6-9-14/h3-10,13H,1,11-12H2,2H3/t13-,15-/m0/s1.
What are the key properties of (2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran?
(2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran has a molecular weight of 230.31 g/mol, XLogP of 3.10, 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-phenylmethoxy-2,6-dihydropyran is sourced from PubChem (CID 10775823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).