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

C18H34O2 — CID 14236953

IUPAC(3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene
SMILESCCCCC/C=C\C/C=C\CC(OC(C)C)OC(C)C
InChIInChI=1S/C18H34O2/c1-6-7-8-9-10-11-12-13-14-15-18(19-16(2)3)20-17(4)5/h10-11,13-14,16-18H,6-9,12,15H2,1-5H3/b11-10-,14-13-
InChIKeyHLSKPFFIYINZKM-XVTLYKPTSA-N
MW282.47 g/mol
LogP5.64
Rot. Bonds12

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

(3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene (PubChem CID 14236953) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene.

Molecular Properties

Compound Name(3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene
PubChem CID14236953
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene
SMILESCCCCC/C=C\C/C=C\CC(OC(C)C)OC(C)C
InChIInChI=1S/C18H34O2/c1-6-7-8-9-10-11-12-13-14-15-18(19-16(2)3)20-17(4)5/h10-11,13-14,16-18H,6-9,12,15H2,1-5H3/b11-10-,14-13-
InChIKeyHLSKPFFIYINZKM-XVTLYKPTSA-N
XLogP5.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.64
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 (3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene?
The IUPAC name of (3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene (CID 14236953) is (3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene.
What is the SMILES notation for (3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene?
The canonical SMILES for (3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene is CCCCC/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)dodeca-3,6-diene?
The InChIKey is HLSKPFFIYINZKM-XVTLYKPTSA-N. The full InChI is InChI=1S/C18H34O2/c1-6-7-8-9-10-11-12-13-14-15-18(19-16(2)3)20-17(4)5/h10-11,13-14,16-18H,6-9,12,15H2,1-5H3/b11-10-,14-13-.
What are the key properties of (3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene?
(3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene has a molecular weight of 282.47 g/mol, XLogP of 5.64, 12 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)dodeca-3,6-diene is sourced from PubChem (CID 14236953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).