(E)-1-methoxyhept-1-ene

C8H16O — CID 11126280

IUPAC(E)-1-methoxyhept-1-ene
SMILESCCCCC/C=C/OC
InChIInChI=1S/C8H16O/c1-3-4-5-6-7-8-9-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKeyNDLSEQCVBNTZHF-BQYQJAHWSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds5

About (E)-1-methoxyhept-1-ene

(E)-1-methoxyhept-1-ene (PubChem CID 11126280) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E)-1-methoxyhept-1-ene.

Molecular Properties

Compound Name(E)-1-methoxyhept-1-ene
PubChem CID11126280
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E)-1-methoxyhept-1-ene
SMILESCCCCC/C=C/OC
InChIInChI=1S/C8H16O/c1-3-4-5-6-7-8-9-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKeyNDLSEQCVBNTZHF-BQYQJAHWSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.73
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'}

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Related Compounds

(Z)-1-methoxydec-1-ene
CID 10888349
(E)-1-methoxytridec-1-ene
CID 87204968
(E)-1-methoxyoct-1-ene
CID 10964624
1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
1-hydroperoxyundec-1-ene
CID 140553152
1-(methoxymethoxy)hexadec-1-ene
CID 175225374
oct-1-enyl hypoiodite
CID 88820135
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
7-methoxyhept-6-en-1-ol
CID 85279707
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxyhept-1-ene?
The IUPAC name of (E)-1-methoxyhept-1-ene (CID 11126280) is (E)-1-methoxyhept-1-ene.
What is the SMILES notation for (E)-1-methoxyhept-1-ene?
The canonical SMILES for (E)-1-methoxyhept-1-ene is CCCCC/C=C/OC.
What is the InChIKey of (E)-1-methoxyhept-1-ene?
The InChIKey is NDLSEQCVBNTZHF-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16O/c1-3-4-5-6-7-8-9-2/h7-8H,3-6H2,1-2H3/b8-7+.
What are the key properties of (E)-1-methoxyhept-1-ene?
(E)-1-methoxyhept-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxyhept-1-ene is sourced from PubChem (CID 11126280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).