3-methoxy-2-methyl-4-methylidenehexane

C9H18O — CID 23384963

IUPAC3-methoxy-2-methyl-4-methylidenehexane
SMILESC=C(CC)C(OC)C(C)C
InChIInChI=1S/C9H18O/c1-6-8(4)9(10-5)7(2)3/h7,9H,4,6H2,1-3,5H3
InChIKeyDNEJMWWLPRUDKV-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.62
Rot. Bonds4

About 3-methoxy-2-methyl-4-methylidenehexane

3-methoxy-2-methyl-4-methylidenehexane (PubChem CID 23384963) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-methoxy-2-methyl-4-methylidenehexane.

Molecular Properties

Compound Name3-methoxy-2-methyl-4-methylidenehexane
PubChem CID23384963
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-methoxy-2-methyl-4-methylidenehexane
SMILESC=C(CC)C(OC)C(C)C
InChIInChI=1S/C9H18O/c1-6-8(4)9(10-5)7(2)3/h7,9H,4,6H2,1-3,5H3
InChIKeyDNEJMWWLPRUDKV-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.62
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 3-methoxy-2-methyl-4-methylidenehexane?
The IUPAC name of 3-methoxy-2-methyl-4-methylidenehexane (CID 23384963) is 3-methoxy-2-methyl-4-methylidenehexane.
What is the SMILES notation for 3-methoxy-2-methyl-4-methylidenehexane?
The canonical SMILES for 3-methoxy-2-methyl-4-methylidenehexane is C=C(CC)C(OC)C(C)C.
What is the InChIKey of 3-methoxy-2-methyl-4-methylidenehexane?
The InChIKey is DNEJMWWLPRUDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-8(4)9(10-5)7(2)3/h7,9H,4,6H2,1-3,5H3.
What are the key properties of 3-methoxy-2-methyl-4-methylidenehexane?
3-methoxy-2-methyl-4-methylidenehexane has a molecular weight of 142.24 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-4-methylidenehexane is sourced from PubChem (CID 23384963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).