(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol

C13H22O2 — CID 45094981

IUPAC(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol
SMILESC/C=C\[C@@](C)(O)[C@H]1CC=C(C)[C@@H](CC)O1
InChIInChI=1S/C13H22O2/c1-5-9-13(4,14)12-8-7-10(3)11(6-2)15-12/h5,7,9,11-12,14H,6,8H2,1-4H3/b9-5-/t11-,12-,13-/m1/s1
InChIKeyBCMQOESVVWWLMX-JUMGBBNFSA-N
MW210.32 g/mol
LogP2.83
Rot. Bonds3

About (Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol

(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol (PubChem CID 45094981) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol.

Molecular Properties

Compound Name(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol
PubChem CID45094981
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol
SMILESC/C=C\[C@@](C)(O)[C@H]1CC=C(C)[C@@H](CC)O1
InChIInChI=1S/C13H22O2/c1-5-9-13(4,14)12-8-7-10(3)11(6-2)15-12/h5,7,9,11-12,14H,6,8H2,1-4H3/b9-5-/t11-,12-,13-/m1/s1
InChIKeyBCMQOESVVWWLMX-JUMGBBNFSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.83
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 (Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol?
The IUPAC name of (Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol (CID 45094981) is (Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol.
What is the SMILES notation for (Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol?
The canonical SMILES for (Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol is C/C=C\[C@@](C)(O)[C@H]1CC=C(C)[C@@H](CC)O1.
What is the InChIKey of (Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol?
The InChIKey is BCMQOESVVWWLMX-JUMGBBNFSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-9-13(4,14)12-8-7-10(3)11(6-2)15-12/h5,7,9,11-12,14H,6,8H2,1-4H3/b9-5-/t11-,12-,13-/m1/s1.
What are the key properties of (Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol?
(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol has a molecular weight of 210.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol is sourced from PubChem (CID 45094981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).