(6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene

C17H32O2 — CID 24976366

IUPAC(6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene
SMILESCC(C)=CCC/C=C/CCC(OC(C)C)OC(C)C
InChIInChI=1S/C17H32O2/c1-14(2)12-10-8-7-9-11-13-17(18-15(3)4)19-16(5)6/h7,9,12,15-17H,8,10-11,13H2,1-6H3/b9-7+
InChIKeyRJWKPXYTKVFNIO-VQHVLOKHSA-N
MW268.44 g/mol
LogP5.25
Rot. Bonds10

About (6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene

(6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene (PubChem CID 24976366) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene.

Molecular Properties

Compound Name(6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene
PubChem CID24976366
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene
SMILESCC(C)=CCC/C=C/CCC(OC(C)C)OC(C)C
InChIInChI=1S/C17H32O2/c1-14(2)12-10-8-7-9-11-13-17(18-15(3)4)19-16(5)6/h7,9,12,15-17H,8,10-11,13H2,1-6H3/b9-7+
InChIKeyRJWKPXYTKVFNIO-VQHVLOKHSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.25
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 (6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene?
The IUPAC name of (6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene (CID 24976366) is (6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene.
What is the SMILES notation for (6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene?
The canonical SMILES for (6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene is CC(C)=CCC/C=C/CCC(OC(C)C)OC(C)C.
What is the InChIKey of (6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene?
The InChIKey is RJWKPXYTKVFNIO-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H32O2/c1-14(2)12-10-8-7-9-11-13-17(18-15(3)4)19-16(5)6/h7,9,12,15-17H,8,10-11,13H2,1-6H3/b9-7+.
What are the key properties of (6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene?
(6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene has a molecular weight of 268.44 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-methyl-10,10-di(propan-2-yloxy)deca-2,6-diene is sourced from PubChem (CID 24976366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).