2-methyloct-7-en-2-yl acetate

C11H20O2 — CID 14356612

IUPAC2-methyloct-7-en-2-yl acetate
SMILESC=CCCCCC(C)(C)OC(C)=O
InChIInChI=1S/C11H20O2/c1-5-6-7-8-9-11(3,4)13-10(2)12/h5H,1,6-9H2,2-4H3
InChIKeyVLIBLVIZYKKTKD-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds6

About 2-methyloct-7-en-2-yl acetate

2-methyloct-7-en-2-yl acetate (PubChem CID 14356612) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyloct-7-en-2-yl acetate.

Molecular Properties

Compound Name2-methyloct-7-en-2-yl acetate
PubChem CID14356612
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyloct-7-en-2-yl acetate
SMILESC=CCCCCC(C)(C)OC(C)=O
InChIInChI=1S/C11H20O2/c1-5-6-7-8-9-11(3,4)13-10(2)12/h5H,1,6-9H2,2-4H3
InChIKeyVLIBLVIZYKKTKD-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Myrcenylacetate
CID 14235
1-Octen-3-ol, 3,7-dimethyl-, 3-acetate
CID 109318
2,6-Dimethyl-7-octen-2-yl acetate
CID 103826
1-Octen-3-ol, 3-methyl-, 3-acetate
CID 106667
7-Octen-2-ol, 2-methyl-6-methylene-, propanoate
CID 16206001
2-Ethenylheptyl acetate
CID 12794026
3-Methylnon-1-en-3-yl acetate
CID 20392145
Dihydro-myrcenol acetate
CID 6432847
(1-Prop-2-enylcyclohexyl) acetate
CID 15164767
Allyl cyclohexyl propionate
CID 21862952
6-Octen-2-ol, 2,6-dimethyl-, 2-acetate
CID 3018213
2,6-Dimethyloct-6-en-2-yl acetate
CID 6365699

Frequently Asked Questions

What is the IUPAC name of 2-methyloct-7-en-2-yl acetate?
The IUPAC name of 2-methyloct-7-en-2-yl acetate (CID 14356612) is 2-methyloct-7-en-2-yl acetate.
What is the SMILES notation for 2-methyloct-7-en-2-yl acetate?
The canonical SMILES for 2-methyloct-7-en-2-yl acetate is C=CCCCCC(C)(C)OC(C)=O.
What is the InChIKey of 2-methyloct-7-en-2-yl acetate?
The InChIKey is VLIBLVIZYKKTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-6-7-8-9-11(3,4)13-10(2)12/h5H,1,6-9H2,2-4H3.
What are the key properties of 2-methyloct-7-en-2-yl acetate?
2-methyloct-7-en-2-yl acetate has a molecular weight of 184.28 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloct-7-en-2-yl acetate is sourced from PubChem (CID 14356612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).