2,2-dimethylpenta-3,4-dienyl acetate

C9H14O2 — CID 11990053

IUPAC2,2-dimethylpenta-3,4-dienyl acetate
SMILESC=C=CC(C)(C)COC(C)=O
InChIInChI=1S/C9H14O2/c1-5-6-9(3,4)7-11-8(2)10/h6H,1,7H2,2-4H3
InChIKeyPMZGSMIHXGJNGM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.92
Rot. Bonds3

About 2,2-dimethylpenta-3,4-dienyl acetate

2,2-dimethylpenta-3,4-dienyl acetate (PubChem CID 11990053) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,2-dimethylpenta-3,4-dienyl acetate.

Molecular Properties

Compound Name2,2-dimethylpenta-3,4-dienyl acetate
PubChem CID11990053
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,2-dimethylpenta-3,4-dienyl acetate
SMILESC=C=CC(C)(C)COC(C)=O
InChIInChI=1S/C9H14O2/c1-5-6-9(3,4)7-11-8(2)10/h6H,1,7H2,2-4H3
InChIKeyPMZGSMIHXGJNGM-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpenta-3,4-dienyl acetate?
The IUPAC name of 2,2-dimethylpenta-3,4-dienyl acetate (CID 11990053) is 2,2-dimethylpenta-3,4-dienyl acetate.
What is the SMILES notation for 2,2-dimethylpenta-3,4-dienyl acetate?
The canonical SMILES for 2,2-dimethylpenta-3,4-dienyl acetate is C=C=CC(C)(C)COC(C)=O.
What is the InChIKey of 2,2-dimethylpenta-3,4-dienyl acetate?
The InChIKey is PMZGSMIHXGJNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-6-9(3,4)7-11-8(2)10/h6H,1,7H2,2-4H3.
What are the key properties of 2,2-dimethylpenta-3,4-dienyl acetate?
2,2-dimethylpenta-3,4-dienyl acetate has a molecular weight of 154.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpenta-3,4-dienyl acetate is sourced from PubChem (CID 11990053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).