(2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol

C14H22O3 — CID 135018987

IUPAC(2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol
SMILESC=CC[C@H]1CC(C)=C[C@@](O)([C@](C)(O)/C=C/C)O1
InChIInChI=1S/C14H22O3/c1-5-7-12-9-11(3)10-14(16,17-12)13(4,15)8-6-2/h5-6,8,10,12,15-16H,1,7,9H2,2-4H3/b8-6+/t12-,13+,14-/m0/s1
InChIKeyGLOBUUKDJZOTAR-YPSUBDEXSA-N
MW238.33 g/mol
LogP2.31
Rot. Bonds4

About (2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol

(2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol (PubChem CID 135018987) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol.

Molecular Properties

Compound Name(2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol
PubChem CID135018987
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol
SMILESC=CC[C@H]1CC(C)=C[C@@](O)([C@](C)(O)/C=C/C)O1
InChIInChI=1S/C14H22O3/c1-5-7-12-9-11(3)10-14(16,17-12)13(4,15)8-6-2/h5-6,8,10,12,15-16H,1,7,9H2,2-4H3/b8-6+/t12-,13+,14-/m0/s1
InChIKeyGLOBUUKDJZOTAR-YPSUBDEXSA-N
XLogP2.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol?
The IUPAC name of (2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol (CID 135018987) is (2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol.
What is the SMILES notation for (2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol?
The canonical SMILES for (2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol is C=CC[C@H]1CC(C)=C[C@@](O)([C@](C)(O)/C=C/C)O1.
What is the InChIKey of (2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol?
The InChIKey is GLOBUUKDJZOTAR-YPSUBDEXSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-7-12-9-11(3)10-14(16,17-12)13(4,15)8-6-2/h5-6,8,10,12,15-16H,1,7,9H2,2-4H3/b8-6+/t12-,13+,14-/m0/s1.
What are the key properties of (2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol?
(2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol has a molecular weight of 238.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-[(E,2R)-2-hydroxypent-3-en-2-yl]-4-methyl-2-prop-2-enyl-2,3-dihydropyran-6-ol is sourced from PubChem (CID 135018987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).