(5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne

C13H18O — CID 71492012

IUPAC(5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne
SMILESC=CCC[C@H](C#CC(=C)C)OCC=C
InChIInChI=1S/C13H18O/c1-5-7-8-13(14-11-6-2)10-9-12(3)4/h5-6,13H,1-3,7-8,11H2,4H3/t13-/m1/s1
InChIKeyADYBAXXFJALWNE-CYBMUJFWSA-N
MW190.29 g/mol
LogP3.10
Rot. Bonds6

About (5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne

(5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne (PubChem CID 71492012) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne.

Molecular Properties

Compound Name(5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne
PubChem CID71492012
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne
SMILESC=CCC[C@H](C#CC(=C)C)OCC=C
InChIInChI=1S/C13H18O/c1-5-7-8-13(14-11-6-2)10-9-12(3)4/h5-6,13H,1-3,7-8,11H2,4H3/t13-/m1/s1
InChIKeyADYBAXXFJALWNE-CYBMUJFWSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.10
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)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne?
The IUPAC name of (5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne (CID 71492012) is (5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne.
What is the SMILES notation for (5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne?
The canonical SMILES for (5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne is C=CCC[C@H](C#CC(=C)C)OCC=C.
What is the InChIKey of (5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne?
The InChIKey is ADYBAXXFJALWNE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18O/c1-5-7-8-13(14-11-6-2)10-9-12(3)4/h5-6,13H,1-3,7-8,11H2,4H3/t13-/m1/s1.
What are the key properties of (5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne?
(5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne has a molecular weight of 190.29 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-prop-2-enoxynona-1,8-dien-3-yne is sourced from PubChem (CID 71492012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).