(4-ethyl-4-methylhex-1-enyl) acetate

C11H20O2 — CID 175199082

IUPAC(4-ethyl-4-methylhex-1-enyl) acetate
SMILESCCC(C)(CC)CC=COC(C)=O
InChIInChI=1S/C11H20O2/c1-5-11(4,6-2)8-7-9-13-10(3)12/h7,9H,5-6,8H2,1-4H3
InChIKeyACAVCRXOQVIMMC-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.28
Rot. Bonds5

About (4-ethyl-4-methylhex-1-enyl) acetate

(4-ethyl-4-methylhex-1-enyl) acetate (PubChem CID 175199082) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4-ethyl-4-methylhex-1-enyl) acetate.

Molecular Properties

Compound Name(4-ethyl-4-methylhex-1-enyl) acetate
PubChem CID175199082
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4-ethyl-4-methylhex-1-enyl) acetate
SMILESCCC(C)(CC)CC=COC(C)=O
InChIInChI=1S/C11H20O2/c1-5-11(4,6-2)8-7-9-13-10(3)12/h7,9H,5-6,8H2,1-4H3
InChIKeyACAVCRXOQVIMMC-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-4,4,4-trifluorobut-1-enyl] acetate
CID 87908862
but-1-enyl acetate;hydrofluoride
CID 172761898
[(E)-3-hydroperoxyprop-1-enyl] acetate
CID 23268909
nona-1,6-dienyl acetate
CID 91219371
[(E)-hexadec-1-enyl] acetate
CID 5376351
3-methylsulfanylprop-1-enyl acetate
CID 54439354
[(1E,8Z)-tetradeca-1,8-dienyl] acetate
CID 11708627
[(9Z)-dodeca-1,9-dienyl] acetate
CID 88595728
[(1Z,9Z)-hexadeca-1,9-dienyl] acetate
CID 175213059
2-ethoxyethenyl acetate
CID 548203
3-[[2-(3-acetyloxyprop-2-enylamino)-2-oxoacetyl]amino]prop-1-enyl acetate
CID 173335411
trideca-1,4,7-trienyl acetate
CID 151112026

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-4-methylhex-1-enyl) acetate?
The IUPAC name of (4-ethyl-4-methylhex-1-enyl) acetate (CID 175199082) is (4-ethyl-4-methylhex-1-enyl) acetate.
What is the SMILES notation for (4-ethyl-4-methylhex-1-enyl) acetate?
The canonical SMILES for (4-ethyl-4-methylhex-1-enyl) acetate is CCC(C)(CC)CC=COC(C)=O.
What is the InChIKey of (4-ethyl-4-methylhex-1-enyl) acetate?
The InChIKey is ACAVCRXOQVIMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-11(4,6-2)8-7-9-13-10(3)12/h7,9H,5-6,8H2,1-4H3.
What are the key properties of (4-ethyl-4-methylhex-1-enyl) acetate?
(4-ethyl-4-methylhex-1-enyl) acetate has a molecular weight of 184.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-4-methylhex-1-enyl) acetate is sourced from PubChem (CID 175199082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).