[(Z)-4-methyl-2-methylidenehex-4-enyl] acetate

C10H16O2 — CID 134858612

IUPAC[(Z)-4-methyl-2-methylidenehex-4-enyl] acetate
SMILESC=C(COC(C)=O)C/C(C)=C\C
InChIInChI=1S/C10H16O2/c1-5-8(2)6-9(3)7-12-10(4)11/h5H,3,6-7H2,1-2,4H3/b8-5-
InChIKeyHJWNFNSLEXEWKI-YVMONPNESA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds4

About [(Z)-4-methyl-2-methylidenehex-4-enyl] acetate

[(Z)-4-methyl-2-methylidenehex-4-enyl] acetate (PubChem CID 134858612) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(Z)-4-methyl-2-methylidenehex-4-enyl] acetate.

Molecular Properties

Compound Name[(Z)-4-methyl-2-methylidenehex-4-enyl] acetate
PubChem CID134858612
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(Z)-4-methyl-2-methylidenehex-4-enyl] acetate
SMILESC=C(COC(C)=O)C/C(C)=C\C
InChIInChI=1S/C10H16O2/c1-5-8(2)6-9(3)7-12-10(4)11/h5H,3,6-7H2,1-2,4H3/b8-5-
InChIKeyHJWNFNSLEXEWKI-YVMONPNESA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(Z)-4-methyl-2-methylidenehex-4-enyl] acetate?
The IUPAC name of [(Z)-4-methyl-2-methylidenehex-4-enyl] acetate (CID 134858612) is [(Z)-4-methyl-2-methylidenehex-4-enyl] acetate.
What is the SMILES notation for [(Z)-4-methyl-2-methylidenehex-4-enyl] acetate?
The canonical SMILES for [(Z)-4-methyl-2-methylidenehex-4-enyl] acetate is C=C(COC(C)=O)C/C(C)=C\C.
What is the InChIKey of [(Z)-4-methyl-2-methylidenehex-4-enyl] acetate?
The InChIKey is HJWNFNSLEXEWKI-YVMONPNESA-N. The full InChI is InChI=1S/C10H16O2/c1-5-8(2)6-9(3)7-12-10(4)11/h5H,3,6-7H2,1-2,4H3/b8-5-.
What are the key properties of [(Z)-4-methyl-2-methylidenehex-4-enyl] acetate?
[(Z)-4-methyl-2-methylidenehex-4-enyl] acetate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methyl-2-methylidenehex-4-enyl] acetate is sourced from PubChem (CID 134858612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).