4-methylhex-3-en-2-yl prop-2-enoate

C10H16O2 — CID 54216045

IUPAC4-methylhex-3-en-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)C=C(C)CC
InChIInChI=1S/C10H16O2/c1-5-8(3)7-9(4)12-10(11)6-2/h6-7,9H,2,5H2,1,3-4H3
InChIKeyPZFZMXHQPLQMDT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds4

About 4-methylhex-3-en-2-yl prop-2-enoate

4-methylhex-3-en-2-yl prop-2-enoate (PubChem CID 54216045) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methylhex-3-en-2-yl prop-2-enoate.

Molecular Properties

Compound Name4-methylhex-3-en-2-yl prop-2-enoate
PubChem CID54216045
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methylhex-3-en-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)C=C(C)CC
InChIInChI=1S/C10H16O2/c1-5-8(3)7-9(4)12-10(11)6-2/h6-7,9H,2,5H2,1,3-4H3
InChIKeyPZFZMXHQPLQMDT-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-4-methylhex-3-en-2-yl] 2,3,4,5,6-pentafluorobenzoate
CID 134889367
CID 172734708
CID 172734708
1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate
CID 151009966
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
(E)-3,5-dimethylhept-4-en-2-one
CID 87291087
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride
CID 87225118
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
3,5-dioxohexan-2-yl prop-2-enoate
CID 20532556

Frequently Asked Questions

What is the IUPAC name of 4-methylhex-3-en-2-yl prop-2-enoate?
The IUPAC name of 4-methylhex-3-en-2-yl prop-2-enoate (CID 54216045) is 4-methylhex-3-en-2-yl prop-2-enoate.
What is the SMILES notation for 4-methylhex-3-en-2-yl prop-2-enoate?
The canonical SMILES for 4-methylhex-3-en-2-yl prop-2-enoate is C=CC(=O)OC(C)C=C(C)CC.
What is the InChIKey of 4-methylhex-3-en-2-yl prop-2-enoate?
The InChIKey is PZFZMXHQPLQMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-8(3)7-9(4)12-10(11)6-2/h6-7,9H,2,5H2,1,3-4H3.
What are the key properties of 4-methylhex-3-en-2-yl prop-2-enoate?
4-methylhex-3-en-2-yl prop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhex-3-en-2-yl prop-2-enoate is sourced from PubChem (CID 54216045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).