(2E)-2-methoxy-6-methylhepta-2,5-diene

C9H16O — CID 143367783

IUPAC(2E)-2-methoxy-6-methylhepta-2,5-diene
SMILESCO/C(C)=C/CC=C(C)C
InChIInChI=1S/C9H16O/c1-8(2)6-5-7-9(3)10-4/h6-7H,5H2,1-4H3/b9-7+
InChIKeyZSTRTUFCXPXTDS-VQHVLOKHSA-N
MW140.23 g/mol
LogP2.89
Rot. Bonds3

About (2E)-2-methoxy-6-methylhepta-2,5-diene

(2E)-2-methoxy-6-methylhepta-2,5-diene (PubChem CID 143367783) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2E)-2-methoxy-6-methylhepta-2,5-diene.

Molecular Properties

Compound Name(2E)-2-methoxy-6-methylhepta-2,5-diene
PubChem CID143367783
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2E)-2-methoxy-6-methylhepta-2,5-diene
SMILESCO/C(C)=C/CC=C(C)C
InChIInChI=1S/C9H16O/c1-8(2)6-5-7-9(3)10-4/h6-7H,5H2,1-4H3/b9-7+
InChIKeyZSTRTUFCXPXTDS-VQHVLOKHSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxy-6-methylhepta-2,5-diene?
The IUPAC name of (2E)-2-methoxy-6-methylhepta-2,5-diene (CID 143367783) is (2E)-2-methoxy-6-methylhepta-2,5-diene.
What is the SMILES notation for (2E)-2-methoxy-6-methylhepta-2,5-diene?
The canonical SMILES for (2E)-2-methoxy-6-methylhepta-2,5-diene is CO/C(C)=C/CC=C(C)C.
What is the InChIKey of (2E)-2-methoxy-6-methylhepta-2,5-diene?
The InChIKey is ZSTRTUFCXPXTDS-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H16O/c1-8(2)6-5-7-9(3)10-4/h6-7H,5H2,1-4H3/b9-7+.
What are the key properties of (2E)-2-methoxy-6-methylhepta-2,5-diene?
(2E)-2-methoxy-6-methylhepta-2,5-diene has a molecular weight of 140.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxy-6-methylhepta-2,5-diene is sourced from PubChem (CID 143367783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).