1-ethoxy-4-methyl-3-methylidenehexane

C10H20O — CID 54324065

IUPAC1-ethoxy-4-methyl-3-methylidenehexane
SMILESC=C(CCOCC)C(C)CC
InChIInChI=1S/C10H20O/c1-5-9(3)10(4)7-8-11-6-2/h9H,4-8H2,1-3H3
InChIKeySTRBKWLBNIZCJY-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.02
Rot. Bonds6

About 1-ethoxy-4-methyl-3-methylidenehexane

1-ethoxy-4-methyl-3-methylidenehexane (PubChem CID 54324065) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-ethoxy-4-methyl-3-methylidenehexane.

Molecular Properties

Compound Name1-ethoxy-4-methyl-3-methylidenehexane
PubChem CID54324065
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-ethoxy-4-methyl-3-methylidenehexane
SMILESC=C(CCOCC)C(C)CC
InChIInChI=1S/C10H20O/c1-5-9(3)10(4)7-8-11-6-2/h9H,4-8H2,1-3H3
InChIKeySTRBKWLBNIZCJY-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methyl-3-methylidenehexane?
The IUPAC name of 1-ethoxy-4-methyl-3-methylidenehexane (CID 54324065) is 1-ethoxy-4-methyl-3-methylidenehexane.
What is the SMILES notation for 1-ethoxy-4-methyl-3-methylidenehexane?
The canonical SMILES for 1-ethoxy-4-methyl-3-methylidenehexane is C=C(CCOCC)C(C)CC.
What is the InChIKey of 1-ethoxy-4-methyl-3-methylidenehexane?
The InChIKey is STRBKWLBNIZCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-9(3)10(4)7-8-11-6-2/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-4-methyl-3-methylidenehexane?
1-ethoxy-4-methyl-3-methylidenehexane 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 1-ethoxy-4-methyl-3-methylidenehexane is sourced from PubChem (CID 54324065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).