(3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene

C15H28O2 — CID 11791321

IUPAC(3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene
SMILESCC/C=C\C/C=C\CC(OC(C)C)OC(C)C
InChIInChI=1S/C15H28O2/c1-6-7-8-9-10-11-12-15(16-13(2)3)17-14(4)5/h7-8,10-11,13-15H,6,9,12H2,1-5H3/b8-7-,11-10-
InChIKeyLDIAMRWFQHNYJZ-NQLNTKRDSA-N
MW240.39 g/mol
LogP4.47
Rot. Bonds9

About (3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene

(3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene (PubChem CID 11791321) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene.

Molecular Properties

Compound Name(3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene
PubChem CID11791321
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene
SMILESCC/C=C\C/C=C\CC(OC(C)C)OC(C)C
InChIInChI=1S/C15H28O2/c1-6-7-8-9-10-11-12-15(16-13(2)3)17-14(4)5/h7-8,10-11,13-15H,6,9,12H2,1-5H3/b8-7-,11-10-
InChIKeyLDIAMRWFQHNYJZ-NQLNTKRDSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene?
The IUPAC name of (3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene (CID 11791321) is (3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene.
What is the SMILES notation for (3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene?
The canonical SMILES for (3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene is CC/C=C\C/C=C\CC(OC(C)C)OC(C)C.
What is the InChIKey of (3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene?
The InChIKey is LDIAMRWFQHNYJZ-NQLNTKRDSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-7-8-9-10-11-12-15(16-13(2)3)17-14(4)5/h7-8,10-11,13-15H,6,9,12H2,1-5H3/b8-7-,11-10-.
What are the key properties of (3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene?
(3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene has a molecular weight of 240.39 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-1,1-di(propan-2-yloxy)nona-3,6-diene is sourced from PubChem (CID 11791321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).