[(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate

C12H22O2 — CID 6434276

IUPAC[(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
SMILESCC(=O)OC/C(=C\CC(C)C)C(C)C
InChIInChI=1S/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h7,9-10H,6,8H2,1-5H3/b12-7+
InChIKeyAOWLXZIJUIFJPM-KPKJPENVSA-N
MW198.31 g/mol
LogP3.18
Rot. Bonds5

About [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate

[(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate (PubChem CID 6434276) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
PubChem CID6434276
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
SMILESCC(=O)OC/C(=C\CC(C)C)C(C)C
InChIInChI=1S/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h7,9-10H,6,8H2,1-5H3/b12-7+
InChIKeyAOWLXZIJUIFJPM-KPKJPENVSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.18
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)-5-methyl-2-propan-2-ylhex-2-enyl] acetate?
The IUPAC name of [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate (CID 6434276) is [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate.
What is the SMILES notation for [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate?
The canonical SMILES for [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate is CC(=O)OC/C(=C\CC(C)C)C(C)C.
What is the InChIKey of [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate?
The InChIKey is AOWLXZIJUIFJPM-KPKJPENVSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h7,9-10H,6,8H2,1-5H3/b12-7+.
What are the key properties of [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate?
[(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate has a molecular weight of 198.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate is sourced from PubChem (CID 6434276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).