(5E)-3-propan-2-yloxyhepta-1,5-diene

C10H18O — CID 13263811

IUPAC(5E)-3-propan-2-yloxyhepta-1,5-diene
SMILESC=CC(C/C=C/C)OC(C)C
InChIInChI=1S/C10H18O/c1-5-7-8-10(6-2)11-9(3)4/h5-7,9-10H,2,8H2,1,3-4H3/b7-5+
InChIKeyQLZZKTJGWVJSRX-FNORWQNLSA-N
MW154.25 g/mol
LogP2.93
Rot. Bonds5

About (5E)-3-propan-2-yloxyhepta-1,5-diene

(5E)-3-propan-2-yloxyhepta-1,5-diene (PubChem CID 13263811) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (5E)-3-propan-2-yloxyhepta-1,5-diene.

Molecular Properties

Compound Name(5E)-3-propan-2-yloxyhepta-1,5-diene
PubChem CID13263811
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(5E)-3-propan-2-yloxyhepta-1,5-diene
SMILESC=CC(C/C=C/C)OC(C)C
InChIInChI=1S/C10H18O/c1-5-7-8-10(6-2)11-9(3)4/h5-7,9-10H,2,8H2,1,3-4H3/b7-5+
InChIKeyQLZZKTJGWVJSRX-FNORWQNLSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-propan-2-yloxyhepta-1,5-diene?
The IUPAC name of (5E)-3-propan-2-yloxyhepta-1,5-diene (CID 13263811) is (5E)-3-propan-2-yloxyhepta-1,5-diene.
What is the SMILES notation for (5E)-3-propan-2-yloxyhepta-1,5-diene?
The canonical SMILES for (5E)-3-propan-2-yloxyhepta-1,5-diene is C=CC(C/C=C/C)OC(C)C.
What is the InChIKey of (5E)-3-propan-2-yloxyhepta-1,5-diene?
The InChIKey is QLZZKTJGWVJSRX-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18O/c1-5-7-8-10(6-2)11-9(3)4/h5-7,9-10H,2,8H2,1,3-4H3/b7-5+.
What are the key properties of (5E)-3-propan-2-yloxyhepta-1,5-diene?
(5E)-3-propan-2-yloxyhepta-1,5-diene has a molecular weight of 154.25 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-propan-2-yloxyhepta-1,5-diene is sourced from PubChem (CID 13263811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).