(2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran

C19H28O2 — CID 25107593

IUPAC(2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
SMILESC#CC[C@@H](C)/C=C(\C=C\[C@H]1CC=C[C@H](OC(C)C)O1)CC
InChIInChI=1S/C19H28O2/c1-6-9-16(5)14-17(7-2)12-13-18-10-8-11-19(21-18)20-15(3)4/h1,8,11-16,18-19H,7,9-10H2,2-5H3/b13-12+,17-14-/t16-,18-,19-/m1/s1
InChIKeyIHRMINNEYQULOO-UWAAZQACSA-N
MW288.43 g/mol
LogP4.63
Rot. Bonds7

About (2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran

(2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran (PubChem CID 25107593) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
PubChem CID25107593
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
SMILESC#CC[C@@H](C)/C=C(\C=C\[C@H]1CC=C[C@H](OC(C)C)O1)CC
InChIInChI=1S/C19H28O2/c1-6-9-16(5)14-17(7-2)12-13-18-10-8-11-19(21-18)20-15(3)4/h1,8,11-16,18-19H,7,9-10H2,2-5H3/b13-12+,17-14-/t16-,18-,19-/m1/s1
InChIKeyIHRMINNEYQULOO-UWAAZQACSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran (CID 25107593) is (2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran is C#CC[C@@H](C)/C=C(\C=C\[C@H]1CC=C[C@H](OC(C)C)O1)CC.
What is the InChIKey of (2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
The InChIKey is IHRMINNEYQULOO-UWAAZQACSA-N. The full InChI is InChI=1S/C19H28O2/c1-6-9-16(5)14-17(7-2)12-13-18-10-8-11-19(21-18)20-15(3)4/h1,8,11-16,18-19H,7,9-10H2,2-5H3/b13-12+,17-14-/t16-,18-,19-/m1/s1.
What are the key properties of (2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
(2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran has a molecular weight of 288.43 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-[(1E,3Z,5R)-3-ethyl-5-methylocta-1,3-dien-7-ynyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 25107593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).