(6E)-8-propan-2-yloxyocta-1,6-diene

C11H20O — CID 11286698

IUPAC(6E)-8-propan-2-yloxyocta-1,6-diene
SMILESC=CCCC/C=C/COC(C)C
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-9-10-12-11(2)3/h4,8-9,11H,1,5-7,10H2,2-3H3/b9-8+
InChIKeyBNRONWJZMWMPBK-CMDGGOBGSA-N
MW168.28 g/mol
LogP3.32
Rot. Bonds7

About (6E)-8-propan-2-yloxyocta-1,6-diene

(6E)-8-propan-2-yloxyocta-1,6-diene (PubChem CID 11286698) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (6E)-8-propan-2-yloxyocta-1,6-diene.

Molecular Properties

Compound Name(6E)-8-propan-2-yloxyocta-1,6-diene
PubChem CID11286698
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(6E)-8-propan-2-yloxyocta-1,6-diene
SMILESC=CCCC/C=C/COC(C)C
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-9-10-12-11(2)3/h4,8-9,11H,1,5-7,10H2,2-3H3/b9-8+
InChIKeyBNRONWJZMWMPBK-CMDGGOBGSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-8-propan-2-yloxyocta-1,6-diene?
The IUPAC name of (6E)-8-propan-2-yloxyocta-1,6-diene (CID 11286698) is (6E)-8-propan-2-yloxyocta-1,6-diene.
What is the SMILES notation for (6E)-8-propan-2-yloxyocta-1,6-diene?
The canonical SMILES for (6E)-8-propan-2-yloxyocta-1,6-diene is C=CCCC/C=C/COC(C)C.
What is the InChIKey of (6E)-8-propan-2-yloxyocta-1,6-diene?
The InChIKey is BNRONWJZMWMPBK-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-8-9-10-12-11(2)3/h4,8-9,11H,1,5-7,10H2,2-3H3/b9-8+.
What are the key properties of (6E)-8-propan-2-yloxyocta-1,6-diene?
(6E)-8-propan-2-yloxyocta-1,6-diene has a molecular weight of 168.28 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-propan-2-yloxyocta-1,6-diene is sourced from PubChem (CID 11286698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).