1-methoxy-4-methyl-3-methylidenehexane

C9H18O — CID 89328279

IUPAC1-methoxy-4-methyl-3-methylidenehexane
SMILESC=C(CCOC)C(C)CC
InChIInChI=1S/C9H18O/c1-5-8(2)9(3)6-7-10-4/h8H,3,5-7H2,1-2,4H3
InChIKeyAEZUGNSDRPJNRW-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.63
Rot. Bonds5

About 1-methoxy-4-methyl-3-methylidenehexane

1-methoxy-4-methyl-3-methylidenehexane (PubChem CID 89328279) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-methoxy-4-methyl-3-methylidenehexane.

Molecular Properties

Compound Name1-methoxy-4-methyl-3-methylidenehexane
PubChem CID89328279
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-methoxy-4-methyl-3-methylidenehexane
SMILESC=C(CCOC)C(C)CC
InChIInChI=1S/C9H18O/c1-5-8(2)9(3)6-7-10-4/h8H,3,5-7H2,1-2,4H3
InChIKeyAEZUGNSDRPJNRW-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-3-methylidenehexane?
The IUPAC name of 1-methoxy-4-methyl-3-methylidenehexane (CID 89328279) is 1-methoxy-4-methyl-3-methylidenehexane.
What is the SMILES notation for 1-methoxy-4-methyl-3-methylidenehexane?
The canonical SMILES for 1-methoxy-4-methyl-3-methylidenehexane is C=C(CCOC)C(C)CC.
What is the InChIKey of 1-methoxy-4-methyl-3-methylidenehexane?
The InChIKey is AEZUGNSDRPJNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-8(2)9(3)6-7-10-4/h8H,3,5-7H2,1-2,4H3.
What are the key properties of 1-methoxy-4-methyl-3-methylidenehexane?
1-methoxy-4-methyl-3-methylidenehexane has a molecular weight of 142.24 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-3-methylidenehexane is sourced from PubChem (CID 89328279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).