6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene

C12H18O — CID 143382100

IUPAC6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene
SMILESCC/C=C\COC1=CC(C)CC=C1
InChIInChI=1S/C12H18O/c1-3-4-5-9-13-12-8-6-7-11(2)10-12/h4-6,8,10-11H,3,7,9H2,1-2H3/b5-4-
InChIKeyXZPGKYNLFLJREI-PLNGDYQASA-N
MW178.27 g/mol
LogP3.45
Rot. Bonds4

About 6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene

6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene (PubChem CID 143382100) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene
PubChem CID143382100
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene
SMILESCC/C=C\COC1=CC(C)CC=C1
InChIInChI=1S/C12H18O/c1-3-4-5-9-13-12-8-6-7-11(2)10-12/h4-6,8,10-11H,3,7,9H2,1-2H3/b5-4-
InChIKeyXZPGKYNLFLJREI-PLNGDYQASA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.45
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 6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene?
The IUPAC name of 6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene (CID 143382100) is 6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene?
The canonical SMILES for 6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene is CC/C=C\COC1=CC(C)CC=C1.
What is the InChIKey of 6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene?
The InChIKey is XZPGKYNLFLJREI-PLNGDYQASA-N. The full InChI is InChI=1S/C12H18O/c1-3-4-5-9-13-12-8-6-7-11(2)10-12/h4-6,8,10-11H,3,7,9H2,1-2H3/b5-4-.
What are the key properties of 6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene?
6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene has a molecular weight of 178.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 143382100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).