(5E)-5-methoxyhepta-1,5-diene

C8H14O — CID 88979708

IUPAC(5E)-5-methoxyhepta-1,5-diene
SMILESC=CCC/C(=C\C)OC
InChIInChI=1S/C8H14O/c1-4-6-7-8(5-2)9-3/h4-5H,1,6-7H2,2-3H3/b8-5+
InChIKeyMMTCZRMBHIFEKL-VMPITWQZSA-N
MW126.20 g/mol
LogP2.50
Rot. Bonds4

About (5E)-5-methoxyhepta-1,5-diene

(5E)-5-methoxyhepta-1,5-diene (PubChem CID 88979708) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (5E)-5-methoxyhepta-1,5-diene.

Molecular Properties

Compound Name(5E)-5-methoxyhepta-1,5-diene
PubChem CID88979708
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(5E)-5-methoxyhepta-1,5-diene
SMILESC=CCC/C(=C\C)OC
InChIInChI=1S/C8H14O/c1-4-6-7-8(5-2)9-3/h4-5H,1,6-7H2,2-3H3/b8-5+
InChIKeyMMTCZRMBHIFEKL-VMPITWQZSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E)-2-chloro-5-methoxyhepta-1,5-diene
CID 89128286
methyl 2-methylidenehex-5-enoate
CID 12706152
5-methylhepta-1,5-diene
CID 54049787
ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
(5E)-5-bromohepta-1,5-diene
CID 163878412
1-methoxyoct-7-ene-2,4-dione
CID 14987394
2-methoxyocta-1,7-diene
CID 16726270
methyl 2-(pent-4-enoylamino)acetate
CID 59153848
methyl 2-but-3-enyl-3-oxohept-6-enoate
CID 11424355
ethane;(5E)-5-propan-2-ylhepta-1,5-diene
CID 142226106
(Z)-1-ethylsulfanyl-2-methoxybut-2-ene
CID 23261294
2-methyl-4-methylideneocta-1,7-diene
CID 140752999

Frequently Asked Questions

What is the IUPAC name of (5E)-5-methoxyhepta-1,5-diene?
The IUPAC name of (5E)-5-methoxyhepta-1,5-diene (CID 88979708) is (5E)-5-methoxyhepta-1,5-diene.
What is the SMILES notation for (5E)-5-methoxyhepta-1,5-diene?
The canonical SMILES for (5E)-5-methoxyhepta-1,5-diene is C=CCC/C(=C\C)OC.
What is the InChIKey of (5E)-5-methoxyhepta-1,5-diene?
The InChIKey is MMTCZRMBHIFEKL-VMPITWQZSA-N. The full InChI is InChI=1S/C8H14O/c1-4-6-7-8(5-2)9-3/h4-5H,1,6-7H2,2-3H3/b8-5+.
What are the key properties of (5E)-5-methoxyhepta-1,5-diene?
(5E)-5-methoxyhepta-1,5-diene has a molecular weight of 126.20 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-methoxyhepta-1,5-diene is sourced from PubChem (CID 88979708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).