4,4-dimethylhept-6-en-2-yl acetate

C11H20O2 — CID 121217241

IUPAC4,4-dimethylhept-6-en-2-yl acetate
SMILESC=CCC(C)(C)CC(C)OC(C)=O
InChIInChI=1S/C11H20O2/c1-6-7-11(4,5)8-9(2)13-10(3)12/h6,9H,1,7-8H2,2-5H3
InChIKeyZKPIDDGKLISXEV-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds5

About 4,4-dimethylhept-6-en-2-yl acetate

4,4-dimethylhept-6-en-2-yl acetate (PubChem CID 121217241) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4,4-dimethylhept-6-en-2-yl acetate.

Molecular Properties

Compound Name4,4-dimethylhept-6-en-2-yl acetate
PubChem CID121217241
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4,4-dimethylhept-6-en-2-yl acetate
SMILESC=CCC(C)(C)CC(C)OC(C)=O
InChIInChI=1S/C11H20O2/c1-6-7-11(4,5)8-9(2)13-10(3)12/h6,9H,1,7-8H2,2-5H3
InChIKeyZKPIDDGKLISXEV-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.93
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 4,4-dimethylhept-6-en-2-yl acetate?
The IUPAC name of 4,4-dimethylhept-6-en-2-yl acetate (CID 121217241) is 4,4-dimethylhept-6-en-2-yl acetate.
What is the SMILES notation for 4,4-dimethylhept-6-en-2-yl acetate?
The canonical SMILES for 4,4-dimethylhept-6-en-2-yl acetate is C=CCC(C)(C)CC(C)OC(C)=O.
What is the InChIKey of 4,4-dimethylhept-6-en-2-yl acetate?
The InChIKey is ZKPIDDGKLISXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-7-11(4,5)8-9(2)13-10(3)12/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 4,4-dimethylhept-6-en-2-yl acetate?
4,4-dimethylhept-6-en-2-yl acetate has a molecular weight of 184.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylhept-6-en-2-yl acetate is sourced from PubChem (CID 121217241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).