3,4-dimethylpent-1-en-3-yl prop-2-enoate

C10H16O2 — CID 134867301

IUPAC3,4-dimethylpent-1-en-3-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C=C)C(C)C
InChIInChI=1S/C10H16O2/c1-6-9(11)12-10(5,7-2)8(3)4/h6-8H,1-2H2,3-5H3
InChIKeyLVGWEHPNCFUQOI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.32
Rot. Bonds4

About 3,4-dimethylpent-1-en-3-yl prop-2-enoate

3,4-dimethylpent-1-en-3-yl prop-2-enoate (PubChem CID 134867301) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,4-dimethylpent-1-en-3-yl prop-2-enoate.

Molecular Properties

Compound Name3,4-dimethylpent-1-en-3-yl prop-2-enoate
PubChem CID134867301
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3,4-dimethylpent-1-en-3-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C=C)C(C)C
InChIInChI=1S/C10H16O2/c1-6-9(11)12-10(5,7-2)8(3)4/h6-8H,1-2H2,3-5H3
InChIKeyLVGWEHPNCFUQOI-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-1-en-3-yl prop-2-enoate?
The IUPAC name of 3,4-dimethylpent-1-en-3-yl prop-2-enoate (CID 134867301) is 3,4-dimethylpent-1-en-3-yl prop-2-enoate.
What is the SMILES notation for 3,4-dimethylpent-1-en-3-yl prop-2-enoate?
The canonical SMILES for 3,4-dimethylpent-1-en-3-yl prop-2-enoate is C=CC(=O)OC(C)(C=C)C(C)C.
What is the InChIKey of 3,4-dimethylpent-1-en-3-yl prop-2-enoate?
The InChIKey is LVGWEHPNCFUQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-9(11)12-10(5,7-2)8(3)4/h6-8H,1-2H2,3-5H3.
What are the key properties of 3,4-dimethylpent-1-en-3-yl prop-2-enoate?
3,4-dimethylpent-1-en-3-yl prop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-1-en-3-yl prop-2-enoate is sourced from PubChem (CID 134867301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).