(5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne

C14H20O — CID 71614408

IUPAC(5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne
SMILESC=CCC[C@H](C#CC(=C)C)OC/C=C/C
InChIInChI=1S/C14H20O/c1-5-7-9-14(11-10-13(3)4)15-12-8-6-2/h5-6,8,14H,1,3,7,9,12H2,2,4H3/b8-6+/t14-/m1/s1
InChIKeyMWTOSFXHQYNTOE-IZPAUZPXSA-N
MW204.31 g/mol
LogP3.49
Rot. Bonds6

About (5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne

(5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne (PubChem CID 71614408) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne.

Molecular Properties

Compound Name(5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne
PubChem CID71614408
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne
SMILESC=CCC[C@H](C#CC(=C)C)OC/C=C/C
InChIInChI=1S/C14H20O/c1-5-7-9-14(11-10-13(3)4)15-12-8-6-2/h5-6,8,14H,1,3,7,9,12H2,2,4H3/b8-6+/t14-/m1/s1
InChIKeyMWTOSFXHQYNTOE-IZPAUZPXSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne?
The IUPAC name of (5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne (CID 71614408) is (5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne.
What is the SMILES notation for (5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne?
The canonical SMILES for (5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne is C=CCC[C@H](C#CC(=C)C)OC/C=C/C.
What is the InChIKey of (5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne?
The InChIKey is MWTOSFXHQYNTOE-IZPAUZPXSA-N. The full InChI is InChI=1S/C14H20O/c1-5-7-9-14(11-10-13(3)4)15-12-8-6-2/h5-6,8,14H,1,3,7,9,12H2,2,4H3/b8-6+/t14-/m1/s1.
What are the key properties of (5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne?
(5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne has a molecular weight of 204.31 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-but-2-enoxy]-2-methylnona-1,8-dien-3-yne is sourced from PubChem (CID 71614408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).