(4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene

C17H28O2 — CID 89169285

IUPAC(4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene
SMILESC=CC[C@@H](C)/C(C(=C)C)=C(OC)/C(=C\C)COCC
InChIInChI=1S/C17H28O2/c1-8-11-14(6)16(13(4)5)17(18-7)15(9-2)12-19-10-3/h8-9,14H,1,4,10-12H2,2-3,5-7H3/b15-9-,17-16-/t14-/m1/s1
InChIKeyIFIHAEVBTNOQJD-GMKFWOJYSA-N
MW264.41 g/mol
LogP4.66
Rot. Bonds9

About (4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene

(4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene (PubChem CID 89169285) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene.

Molecular Properties

Compound Name(4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene
PubChem CID89169285
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene
SMILESC=CC[C@@H](C)/C(C(=C)C)=C(OC)/C(=C\C)COCC
InChIInChI=1S/C17H28O2/c1-8-11-14(6)16(13(4)5)17(18-7)15(9-2)12-19-10-3/h8-9,14H,1,4,10-12H2,2-3,5-7H3/b15-9-,17-16-/t14-/m1/s1
InChIKeyIFIHAEVBTNOQJD-GMKFWOJYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene?
The IUPAC name of (4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene (CID 89169285) is (4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene.
What is the SMILES notation for (4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene?
The canonical SMILES for (4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene is C=CC[C@@H](C)/C(C(=C)C)=C(OC)/C(=C\C)COCC.
What is the InChIKey of (4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene?
The InChIKey is IFIHAEVBTNOQJD-GMKFWOJYSA-N. The full InChI is InChI=1S/C17H28O2/c1-8-11-14(6)16(13(4)5)17(18-7)15(9-2)12-19-10-3/h8-9,14H,1,4,10-12H2,2-3,5-7H3/b15-9-,17-16-/t14-/m1/s1.
What are the key properties of (4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene?
(4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene has a molecular weight of 264.41 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E,7Z)-7-(ethoxymethyl)-6-methoxy-4-methyl-5-prop-1-en-2-ylnona-1,5,7-triene is sourced from PubChem (CID 89169285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).