(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene

C17H28O2 — CID 101200823

IUPAC(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene
SMILESC=CCOCC(C/C=C/C)(C/C=C/C)COCC=C
InChIInChI=1S/C17H28O2/c1-5-9-11-17(12-10-6-2,15-18-13-7-3)16-19-14-8-4/h5-10H,3-4,11-16H2,1-2H3/b9-5+,10-6+
InChIKeyIIHKOBCNQAARTE-NXZHAISVSA-N
MW264.41 g/mol
LogP4.31
Rot. Bonds12

About (2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene

(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene (PubChem CID 101200823) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene.

Molecular Properties

Compound Name(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene
PubChem CID101200823
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene
SMILESC=CCOCC(C/C=C/C)(C/C=C/C)COCC=C
InChIInChI=1S/C17H28O2/c1-5-9-11-17(12-10-6-2,15-18-13-7-3)16-19-14-8-4/h5-10H,3-4,11-16H2,1-2H3/b9-5+,10-6+
InChIKeyIIHKOBCNQAARTE-NXZHAISVSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,9-Dioxaspiro[6.6]trideca-4,11-diene
CID 86214882
4,4,9,9-Tetrakis(methoxymethyl)-1,6,11-dodecatriene
CID 129851483
4,4,9,9-Tetrakis(ethoxymethyl)-1,6,11-dodecatriene
CID 129851492
(6E)-8-methoxy-4,4-dimethylocta-1,6-diene
CID 135014810
(9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene
CID 177495943
3-Ethyl-3-(octa-2,7-dienoxymethyl)oxetane
CID 54419268
1-(5,5-Dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene
CID 57019524
1-(5,5-Dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene
CID 57311767
1-(3-Methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane
CID 67125708
3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane
CID 67789044
3-Ethyl-3-[1-(3-ethyloxetan-3-yl)hex-2-enoxymethyl]oxetane
CID 68441879
3,3-dimethyl-1-[(Z)-pent-2-enoxy]pentane
CID 89382172

Frequently Asked Questions

What is the IUPAC name of (2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene?
The IUPAC name of (2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene (CID 101200823) is (2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene.
What is the SMILES notation for (2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene?
The canonical SMILES for (2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene is C=CCOCC(C/C=C/C)(C/C=C/C)COCC=C.
What is the InChIKey of (2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene?
The InChIKey is IIHKOBCNQAARTE-NXZHAISVSA-N. The full InChI is InChI=1S/C17H28O2/c1-5-9-11-17(12-10-6-2,15-18-13-7-3)16-19-14-8-4/h5-10H,3-4,11-16H2,1-2H3/b9-5+,10-6+.
What are the key properties of (2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene?
(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene has a molecular weight of 264.41 g/mol, XLogP of 4.31, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene is sourced from PubChem (CID 101200823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).