(Z)-1,1-di(propan-2-yloxy)non-3-ene

C15H30O2 — CID 14236951

IUPAC(Z)-1,1-di(propan-2-yloxy)non-3-ene
SMILESCCCCC/C=C\CC(OC(C)C)OC(C)C
InChIInChI=1S/C15H30O2/c1-6-7-8-9-10-11-12-15(16-13(2)3)17-14(4)5/h10-11,13-15H,6-9,12H2,1-5H3/b11-10-
InChIKeyZPIYBVWXLBVMMZ-KHPPLWFESA-N
MW242.40 g/mol
LogP4.69
Rot. Bonds10

About (Z)-1,1-di(propan-2-yloxy)non-3-ene

(Z)-1,1-di(propan-2-yloxy)non-3-ene (PubChem CID 14236951) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (Z)-1,1-di(propan-2-yloxy)non-3-ene.

Molecular Properties

Compound Name(Z)-1,1-di(propan-2-yloxy)non-3-ene
PubChem CID14236951
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(Z)-1,1-di(propan-2-yloxy)non-3-ene
SMILESCCCCC/C=C\CC(OC(C)C)OC(C)C
InChIInChI=1S/C15H30O2/c1-6-7-8-9-10-11-12-15(16-13(2)3)17-14(4)5/h10-11,13-15H,6-9,12H2,1-5H3/b11-10-
InChIKeyZPIYBVWXLBVMMZ-KHPPLWFESA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-1,1-di(propan-2-yloxy)non-3-ene?
The IUPAC name of (Z)-1,1-di(propan-2-yloxy)non-3-ene (CID 14236951) is (Z)-1,1-di(propan-2-yloxy)non-3-ene.
What is the SMILES notation for (Z)-1,1-di(propan-2-yloxy)non-3-ene?
The canonical SMILES for (Z)-1,1-di(propan-2-yloxy)non-3-ene is CCCCC/C=C\CC(OC(C)C)OC(C)C.
What is the InChIKey of (Z)-1,1-di(propan-2-yloxy)non-3-ene?
The InChIKey is ZPIYBVWXLBVMMZ-KHPPLWFESA-N. The full InChI is InChI=1S/C15H30O2/c1-6-7-8-9-10-11-12-15(16-13(2)3)17-14(4)5/h10-11,13-15H,6-9,12H2,1-5H3/b11-10-.
What are the key properties of (Z)-1,1-di(propan-2-yloxy)non-3-ene?
(Z)-1,1-di(propan-2-yloxy)non-3-ene has a molecular weight of 242.40 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1-di(propan-2-yloxy)non-3-ene is sourced from PubChem (CID 14236951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).