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

C10H18O — CID 13263812

IUPAC(1E,5E)-1-propan-2-yloxyhepta-1,5-diene
SMILESC/C=C/CC/C=C/OC(C)C
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-9-11-10(2)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+,9-8+
InChIKeyWYASLKIEPRBIOK-KQWYESAVSA-N
MW154.25 g/mol
LogP3.28
Rot. Bonds5

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

(1E,5E)-1-propan-2-yloxyhepta-1,5-diene (PubChem CID 13263812) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1E,5E)-1-propan-2-yloxyhepta-1,5-diene.

Molecular Properties

Compound Name(1E,5E)-1-propan-2-yloxyhepta-1,5-diene
PubChem CID13263812
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1E,5E)-1-propan-2-yloxyhepta-1,5-diene
SMILESC/C=C/CC/C=C/OC(C)C
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-9-11-10(2)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+,9-8+
InChIKeyWYASLKIEPRBIOK-KQWYESAVSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 6440369
1-Isopropoxy-1,4-cyclohexadiene
CID 141420
Methyl 4h pyran
CID 12490222
(E)-5-methoxyhex-2-ene
CID 13548988
1-Methoxyoctadien
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3Butyl butenyl ether
CID 53685065
Octadienyl ethyl ether
CID 53818685
Methoxyoctadiene
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Ethyl 4h pyran
CID 54421058
Isopropyloctadienyl ether
CID 54569500

Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1-propan-2-yloxyhepta-1,5-diene?
The IUPAC name of (1E,5E)-1-propan-2-yloxyhepta-1,5-diene (CID 13263812) is (1E,5E)-1-propan-2-yloxyhepta-1,5-diene.
What is the SMILES notation for (1E,5E)-1-propan-2-yloxyhepta-1,5-diene?
The canonical SMILES for (1E,5E)-1-propan-2-yloxyhepta-1,5-diene is C/C=C/CC/C=C/OC(C)C.
What is the InChIKey of (1E,5E)-1-propan-2-yloxyhepta-1,5-diene?
The InChIKey is WYASLKIEPRBIOK-KQWYESAVSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-6-7-8-9-11-10(2)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+,9-8+.
What are the key properties of (1E,5E)-1-propan-2-yloxyhepta-1,5-diene?
(1E,5E)-1-propan-2-yloxyhepta-1,5-diene has a molecular weight of 154.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1-propan-2-yloxyhepta-1,5-diene is sourced from PubChem (CID 13263812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).