(E)-1-methoxy-5-methyloct-2-ene

C10H20O — CID 88527426

IUPAC(E)-1-methoxy-5-methyloct-2-ene
SMILESCCCC(C)C/C=C/COC
InChIInChI=1S/C10H20O/c1-4-7-10(2)8-5-6-9-11-3/h5-6,10H,4,7-9H2,1-3H3/b6-5+
InChIKeyVMGQXFLVVWWWRZ-AATRIKPKSA-N
MW156.27 g/mol
LogP3.02
Rot. Bonds6

About (E)-1-methoxy-5-methyloct-2-ene

(E)-1-methoxy-5-methyloct-2-ene (PubChem CID 88527426) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-1-methoxy-5-methyloct-2-ene.

Molecular Properties

Compound Name(E)-1-methoxy-5-methyloct-2-ene
PubChem CID88527426
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E)-1-methoxy-5-methyloct-2-ene
SMILESCCCC(C)C/C=C/COC
InChIInChI=1S/C10H20O/c1-4-7-10(2)8-5-6-9-11-3/h5-6,10H,4,7-9H2,1-3H3/b6-5+
InChIKeyVMGQXFLVVWWWRZ-AATRIKPKSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4,9-dimethyltetradec-6-ene
CID 173273385
(E)-1-methoxyhex-2-ene
CID 5366215
(E)-4-(2-methylpentoxy)but-2-en-1-amine
CID 103283875
6-methyl-N-propan-2-ylnon-3-en-1-amine
CID 79592090
(E)-7-methoxy-3-methylhept-5-en-2-one
CID 59550367
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
3,4,10-trimethyltridec-7-enylcyclobutane
CID 91310589
8-methyltridec-5-ene
CID 123857568
(E)-6-methylhexadec-3-ene
CID 173194211
6,9-dimethylundec-3-ene
CID 90927797
4-methylheptane;propane
CID 142171269

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-5-methyloct-2-ene?
The IUPAC name of (E)-1-methoxy-5-methyloct-2-ene (CID 88527426) is (E)-1-methoxy-5-methyloct-2-ene.
What is the SMILES notation for (E)-1-methoxy-5-methyloct-2-ene?
The canonical SMILES for (E)-1-methoxy-5-methyloct-2-ene is CCCC(C)C/C=C/COC.
What is the InChIKey of (E)-1-methoxy-5-methyloct-2-ene?
The InChIKey is VMGQXFLVVWWWRZ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20O/c1-4-7-10(2)8-5-6-9-11-3/h5-6,10H,4,7-9H2,1-3H3/b6-5+.
What are the key properties of (E)-1-methoxy-5-methyloct-2-ene?
(E)-1-methoxy-5-methyloct-2-ene has a molecular weight of 156.27 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-5-methyloct-2-ene is sourced from PubChem (CID 88527426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).